34H

(2R)-2-HYDROXY-3-(4-HYDROXYPHENYL)PROPANOIC ACID

Created: 2010-07-21
Last modified:  2024-09-27

Find related ligands:

Chemical Details

Formal Charge0
Atom Count23
Chiral Atom Count1
Bond Count23
Aromatic Bond Count6
2D diagram of 34H

Chemical Component Summary

Name(2R)-2-HYDROXY-3-(4-HYDROXYPHENYL)PROPANOIC ACID
Systematic Name (OpenEye OEToolkits)(2R)-2-hydroxy-3-(4-hydroxyphenyl)propanoic acid
FormulaC9 H10 O4
Molecular Weight182.173
TypeNON-POLYMER

Chemical Descriptors

TypeProgram Version Descriptor
SMILESACDLabs10.04O=C(O)C(O)Cc1ccc(O)cc1
SMILESCACTVS3.352O[CH](Cc1ccc(O)cc1)C(O)=O
SMILESOpenEye OEToolkits1.6.1c1cc(ccc1CC(C(=O)O)O)O
Canonical SMILESCACTVS3.352 O[C@H](Cc1ccc(O)cc1)C(O)=O
Canonical SMILESOpenEye OEToolkits1.6.1 c1cc(ccc1C[C@H](C(=O)O)O)O
InChIInChI1.03 InChI=1S/C9H10O4/c10-7-3-1-6(2-4-7)5-8(11)9(12)13/h1-4,8,10-11H,5H2,(H,12,13)/t8-/m1/s1
InChIKeyInChI1.03 JVGVDSSUAVXRDY-MRVPVSSYSA-N

Related Resource References

Resource NameReference
PubChem 440177
ChEBI CHEBI:16003