小分子和化合物库

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显示第112个,产品总数23

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  1. 腺嘌呤
      规格或纯度 :
    • ≥99.5%(HPLC)
    CAS号 : 73-24-5       
    分子式: C5H5N5        分子量: 135.13
    IUPAC Name: 7H-purin-6-amine
    SMILES: Nc1ncnc2[nH]cnc12
    InChIKey: GFFGJBXGBJISGV-UHFFFAOYSA-N
    InChI: InChI=1S/C5H5N5/c6-4-3-5(9-1-7-3)10-2-8-4/h1-2H,(H3,6,7,8,9,10)
  2. 阿魏酸
    CAS号 : 1135-24-6        Compound CID : 445858
    分子式: C10H10O4        分子量: 194.18
    IUPAC Name: (E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoic acid
    SMILES: COC1=C(C=CC(=C1)C=CC(=O)O)O
    InChIKey: KSEBMYQBYZTDHS-HWKANZROSA-N
    InChI: InChI=1S/C10H10O4/c1-14-9-6-7(2-4-8(9)11)3-5-10(12)13/h2-6,11H,1H3,(H,12,13)/b5-3+
  3. 7-甲氧基-2,2-二甲基苯
      规格或纯度 :
    • ≥97.0%
    CAS号 : 17598-02-6        Compound CID : 28619
    分子式: C12H14O2        分子量: 190.2
    IUPAC Name: 7-methoxy-2,2-dimethylchromene
    SMILES: CC1(C=CC2=C(O1)C=C(C=C2)OC)C
    InChIKey: CPTJXGLQLVPIGP-UHFFFAOYSA-N
    InChI: InChI=1S/C12H14O2/c1-12(2)7-6-9-4-5-10(13-3)8-11(9)14-12/h4-8H,1-3H3
  4. α-细辛脑
    CAS号 : 2883-98-9        Compound CID : 636822
    分子式: C12H16O3        分子量: 208.25
    IUPAC Name: 1,2,4-trimethoxy-5-[(E)-prop-1-enyl]benzene
    SMILES: CC=CC1=CC(=C(C=C1OC)OC)OC
    InChIKey: RKFAZBXYICVSKP-AATRIKPKSA-N
    InChI: InChI=1S/C12H16O3/c1-5-6-9-7-11(14-3)12(15-4)8-10(9)13-2/h5-8H,1-4H3/b6-5+
  5. 烟酸
    CAS号 : 59-67-6        Compound CID : 938
    分子式: C6H5NO2        分子量: 123.11
    IUPAC Name: pyridine-3-carboxylic acid
    SMILES: C1=CC(=CN=C1)C(=O)O
    InChIKey: PVNIIMVLHYAWGP-UHFFFAOYSA-N
    InChI: InChI=1S/C6H5NO2/c8-6(9)5-2-1-3-7-4-5/h1-4H,(H,8,9)
  6. 烟酰胺
      规格或纯度 :
    • ≥99.5%(HPLC)
    CAS号 : 98-92-0        Compound CID : 936
    分子式: C6H6N2O        分子量: 122.12
    IUPAC Name: pyridine-3-carboxamide
    SMILES: C1=CC(=CN=C1)C(=O)N
    InChIKey: DFPAKSUCGFBDDF-UHFFFAOYSA-N
    InChI: InChI=1S/C6H6N2O/c7-6(9)5-2-1-3-8-4-5/h1-4H,(H2,7,9)
  7. 烟酰胺
    CAS号 : 98-92-0        Compound CID : 936
    分子式: C6H6N2O        分子量: 122.12
    IUPAC Name: pyridine-3-carboxamide
    SMILES: C1=CC(=CN=C1)C(=O)N
    InChIKey: DFPAKSUCGFBDDF-UHFFFAOYSA-N
    InChI: InChI=1S/C6H6N2O/c7-6(9)5-2-1-3-8-4-5/h1-4H,(H2,7,9)
  8. D-核糖
    CAS号 : 50-69-1        Compound CID : 5311110
    分子式: C5H10O5        分子量: 150.13
    IUPAC Name: (2R,3R,4R)-2,3,4,5-tetrahydroxypentanal
    SMILES: C(C(C(C(C=O)O)O)O)O
    InChIKey: PYMYPHUHKUWMLA-LMVFSUKVSA-N
    InChI: InChI=1S/C5H10O5/c6-1-3(8)5(10)4(9)2-7/h1,3-5,7-10H,2H2/t3-,4+,5-/m0/s1
  9. D-山梨醇
    CAS号 : 50-70-4       
    分子式: C6H14O6        分子量: 182.18
    IUPAC Name: (2R,3R,4R,5S)-hexane-1,2,3,4,5,6-hexol
    SMILES: OC[C@@H](O)[C@@H](O)[C@H](O)[C@@H](O)CO
    InChIKey: FBPFZTCFMRRESA-JGWLITMVSA-N
    InChI: InChI=1S/C6H14O6/c7-1-3(9)5(11)6(12)4(10)2-8/h3-12H,1-2H2/t3-,4+,5-,6-/m1/s1
  10. D-山梨醇
    CAS号 : 50-70-4       
    分子式: C6H14O6        分子量: 182.18
    IUPAC Name: (2R,3R,4R,5S)-hexane-1,2,3,4,5,6-hexol
    SMILES: OC[C@@H](O)[C@@H](O)[C@H](O)[C@@H](O)CO
    InChIKey: FBPFZTCFMRRESA-JGWLITMVSA-N
    InChI: InChI=1S/C6H14O6/c7-1-3(9)5(11)6(12)4(10)2-8/h3-12H,1-2H2/t3-,4+,5-,6-/m1/s1
  11. 蔗糖
    CAS号 : 57-50-1        Compound CID : 5988
    分子式: C12H22O11        分子量: 342.3
    IUPAC Name: (2R,3R,4S,5S,6R)-2-[(2S,3S,4S,5R)-3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
    SMILES: C(C1C(C(C(C(O1)OC2(C(C(C(O2)CO)O)O)CO)O)O)O)O
    InChIKey: CZMRCDWAGMRECN-UGDNZRGBSA-N
    InChI: InChI=1S/C12H22O11/c13-1-4-6(16)8(18)9(19)11(21-4)23-12(3-15)10(20)7(17)5(2-14)22-12/h4-11,13-20H,1-3H2/t4-,5-,6-,7-,8+,9-,10+,11-,12+/m1/s1
  12. 糖精
    CAS号 : 81-07-2        Compound CID : 5143
    分子式: C7H5NO3S        分子量: 183.18
    IUPAC Name: 1,1-dioxo-1,2-benzothiazol-3-one
    SMILES: C1=CC=C2C(=C1)C(=O)NS2(=O)=O
    InChIKey: CVHZOJJKTDOEJC-UHFFFAOYSA-N
    InChI: InChI=1S/C7H5NO3S/c9-7-5-3-1-2-4-6(5)12(10,11)8-7/h1-4H,(H,8,9)
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