Basic information
- CAS
76833-34-6- Standard SMILES
O=C(O)CC(O)c1ccc(O)cc1- InChIKey
AKWHTKRUNUYXDS-UHFFFAOYSA-N- Molecular formula
- C9H10O4
- Average molar mass
- 182.17 g/mol
- Monoisotopic mass
- 182.0579088
Overview
Dihydroxyphenylpropionic acid is a member of benzenes and a monocarboxylic acid. It is a conjugate acid of a 3-hydroxy-3-(4-hydroxyphenyl)propanoate.
Names & identifiers
- Preferred name
- beta-4-Hydroxyphenylhydracrylic acid
- IUPAC
- 3-hydroxy-3-(4-hydroxyphenyl)propanoic acid
Names & synonyms
76833-34-6beta-4-Hydroxyphenylhydracrylic acidbeta-p-Hydroxyphenylhydracrylic acidBenzenepropanoic acid, beta,4-dihydroxy-, (+-)-RefChem:9170353-hydroxy-3-(4-hydroxyphenyl)propanoic acid69098-04-0beta,4-Dihydroxybenzenepropanoic AcidMFCD16749144b,4-Dihydroxybenzenepropanoic Acid3-(p-Hydroxyphenyl)hydracrylic Acid; 4-HPHPA3-hydroxy-3-(4-hydroxyphenyl)propanoate
Show more names
,4-DihydroxyphenylpropionicacidSCHEMBL4483463DTXSID90998149AKWHTKRUNUYXDS-UHFFFAOYSA-NCHEBI:166658AKOS0116823733-hydroxy-3-p-hydroxyphenylpropionic acid3-hydroxy-3-(4-hydroxyphenyl)propanoicacid
Database identifiers
- CAS
76833-34-6- PubChem CID
- 192095
- DTXSID
DTXSID90998149- ChEBI
CHEBI:166658- Nikkaji
- J3.299.280C
Properties
Computed structural properties
- XLogP
- 0.8
- Topological polar surface area
- 77.8 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 172
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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