小分子和化合物库

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7 项目

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  1. 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)
  2. 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
  3. 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)
  4. 黄嘌呤
    CAS号 : 69-89-6        Compound CID : 1188
    分子式: C5H4N4O2        分子量: 152.11
    IUPAC Name: 3,7-dihydropurine-2,6-dione
    SMILES: C1=NC2=C(N1)C(=O)NC(=O)N2
    InChIKey: LRFVTYWOQMYALW-UHFFFAOYSA-N
    InChI: InChI=1S/C5H4N4O2/c10-4-2-3(7-1-6-2)8-5(11)9-4/h1H,(H3,6,7,8,9,10,11)
  5. 对苯醌
      规格或纯度 :
    • Moligand™
    • ≥99.5%(HPLC)
    • 用于光谱测定胺
    CAS号 : 106-51-4        Compound CID : 4650
    分子式: C6H4O2        分子量: 108.1
    IUPAC Name: cyclohexa-2,5-diene-1,4-dione
    SMILES: C1=CC(=O)C=CC1=O
    InChIKey: AZQWKYJCGOJGHM-UHFFFAOYSA-N
    InChI: InChI=1S/C6H4O2/c7-5-1-2-6(8)4-3-5/h1-4H
  6. 腺嘌呤核苷
    CAS号 : 58-61-7        Compound CID : 60961
    分子式: C10H13N5O4        分子量: 267.24
    IUPAC Name: (2R,3R,4S,5R)-2-(6-aminopurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol
    SMILES: C1=NC(=C2C(=N1)N(C=N2)C3C(C(C(O3)CO)O)O)N
    InChIKey: OIRDTQYFTABQOQ-KQYNXXCUSA-N
    InChI: InChI=1S/C10H13N5O4/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(18)6(17)4(1-16)19-10/h2-4,6-7,10,16-18H,1H2,(H2,11,12,13)/t4-,6-,7-,10-/m1/s1
  7. 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)
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