34H
(2R)-2-HYDROXY-3-(4-HYDROXYPHENYL)PROPANOIC ACID
Created: | 2010-07-21 |
Last modified: | 2024-09-27 |
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Chemical Details | |
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Formal Charge | 0 |
Atom Count | 23 |
Chiral Atom Count | 1 |
Bond Count | 23 |
Aromatic Bond Count | 6 |
Chemical Component Summary | |
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Name | (2R)-2-HYDROXY-3-(4-HYDROXYPHENYL)PROPANOIC ACID |
Systematic Name (OpenEye OEToolkits) | (2R)-2-hydroxy-3-(4-hydroxyphenyl)propanoic acid |
Formula | C9 H10 O4 |
Molecular Weight | 182.173 |
Type | NON-POLYMER |
Chemical Descriptors | |||
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Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | O=C(O)C(O)Cc1ccc(O)cc1 |
SMILES | CACTVS | 3.352 | O[CH](Cc1ccc(O)cc1)C(O)=O |
SMILES | OpenEye OEToolkits | 1.6.1 | c1cc(ccc1CC(C(=O)O)O)O |
Canonical SMILES | CACTVS | 3.352 | O[C@H](Cc1ccc(O)cc1)C(O)=O |
Canonical SMILES | OpenEye OEToolkits | 1.6.1 | c1cc(ccc1C[C@H](C(=O)O)O)O |
InChI | InChI | 1.03 | 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 |
InChIKey | InChI | 1.03 | JVGVDSSUAVXRDY-MRVPVSSYSA-N |
Related Resource References
Resource Name | Reference |
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PubChem | 440177 |
ChEBI | CHEBI:16003 |