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Hydrocaffeic acid,Dihydrocaffeic acid ,2,3-Dhppa ,3,4-Dihydroxyhydroci

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摘 要:Hydrocaffeic acid,Dihydrocaffeic acid ,2,3-Dhppa ,3,4-Dihydroxyhydrocinnamic acid,2,3-Dihydroxyphenylpropanoate,2,3-Dihydroxyphenylpropionic acid ,3,4-Dihydroxyphenylpropionic acid ,3,4-Dihydroxybenzenepropanoic acid,3-(2,3-Dihydroxyphenyl)propanoate
[Synonyms]
Hydrocaffeic acid
Dihydrocaffeic acid
2,3-Dhppa
3,4-Dihydroxyhydrocinnamic acid
2,3-Dihydroxyphenylpropanoate
2,3-Dihydroxyphenylpropionic acid
3,4-Dihydroxyphenylpropionic acid
3,4-Dihydroxybenzenepropanoic acid
3-(2,3-Dihydroxyphenyl)propanoate
CHEBI:18136

[Structure]
Hydrocaffeic acid,Dihydrocaffeic acid ,2,3-Dhppa ,3,4-Dihydroxyhydroci

[ Properties Computed from Structure]
Molecular Weight182.1733 [g/mol]
Molecular FormulaC9H10O4
XLogP1.2
H-Bond Donor3
H-Bond Acceptor4
Rotatable Bond Count3
Tautomer Count53
Exact Mass182.057909
MonoIsotopic Mass182.057909
Topological Polar Surface Area77.8
Heavy Atom Count13
Formal Charge0
Complexity181
Isotope Atom Count0
Defined Atom StereoCenter Count0
Undefined Atom StereoCenter Count0
Defined Bond StereoCenter Count0
Undefined Bond StereoCenter Count0
Covalently-Bonded Unit Count1

[ Descriptors Computed from Structure]
IUPAC Name: 3-(2,3-dihydroxyphenyl)propanoic acid
Canonical SMILES: C1=CC(=C(C(=C1)O)O)CCC(=O)O
InChI: InChI=1/C9H10O4/c10-7-3-1-2-6(9(7)13)4-5-8(11)12/h1-3,10,13H,4-5H2,(H,
11,12)/f/h11H

 
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