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Lactoyl-CoA
Triclocarban
133-53-9
88-04-0
β-Fructofuranosidase
chem960
2288850-51-9
4,4',4'',4'''-(Benzene-1,2,4,5-tetrayltetrakis(ethene-2,1-diyl))tetrabenzoic acid | 2288850-51-9
Product Name:4,4',4'',4'''-(Benzene-1,2,4,5-tetrayltetrakis(ethene-2,1-diyl))tetrabenzoic acid
CAS No:
2288850-51-9
MF:C42H30O8
MW:662.682812213898
CID:6779200
PubChem ID:
102246200
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Basic Information
Names and Identifiers
4,4',4'',4'''-(Benzene-1,2,4,5-tetrayltetrakis(ethene-2,1-diyl))tetrabenzoicacid
2288850-51-9
4,4',4'',4'''-((1E,1'E,1''E,1'''E)-Benzene-1,2,4,5-tetrayltetrakis(ethene-2,1-diyl))tetrabenzoic acid
CS-0170632
4,4',4'',4'''-(Benzene-1,2,4,5-tetrayltetrakis(ethene-2,1-diyl))tetrabenzoic acid
SCHEMBL16687965
1292817-46-9
+ expand
InChIKey:FVVJCWNMOQWJQK-DCLBUZTQSA-N
Inchi:1S/C42H30O8/c43-39(44)31-13-1-27(2-14-31)9-21-35-25-37(23-11-29-5-17-33(18-6-29)41(47)48)38(24-12-30-7-19-34(20-8-30)42(49)50)26-36(35)22-10-28-3-15-32(16-4-28)40(45)46/h1-26H,(H,43,44)(H,45,46)(H,47,48)(H,49,50)/b21-9+,22-10+,23-11+,24-12+
SMILES:OC(C1C=CC(=CC=1)/C=C/C1=CC(C=CC2C=CC(C(=O)O)=CC=2)=C(C=CC2C=CC(C(=O)O)=CC=2)C=C1/C=C/C1C=CC(C(=O)O)=CC=1)=O |t:14,27|
Chemical and Physical Properties
Computed Properties
精确分子量: 662.19406791g/mol
氢键供体数量: 4
氢键受体数量: 8
可旋转化学键数量: 12
同位素质量: 662.19406791g/mol
重原子数量: 50
复杂度: 1070
同位素原子数量: 0
确定原子立构中心数量: 0
不确定原子立构中心数量: 0
确定化学键立构中心数量: 4
不确定化学键立构中心数量: 0
共价键单元数量: 1
疏水参数计算参考值(XlogP): 9.1
拓扑分子极性表面积: 149Ų
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