Basic information
- CAS
5336-27-6- Standard SMILES
O=C(O)C(=O)c1ccc(O)cc1O- InChIKey
OENIGRGCZNNZQB-UHFFFAOYSA-N- Molecular formula
- C8H6O5
- Average molar mass
- 182.13 g/mol
- Monoisotopic mass
- 182.02152329
Names & identifiers
- Preferred name
- (2,4-Dihydroxyphenyl)(oxo)acetic acid
- IUPAC
- 2-(2,4-dihydroxyphenyl)-2-oxoacetic acid
Names & synonyms
(2,4-dihydroxyphenyl)(oxo)acetic acid5336-27-6DTXSID30277187RefChem:205535DTXCID802283462-(2,4-dihydroxyphenyl)-2-oxoacetic acidNSC1057SCHEMBL146415612,4-dihydroxyphenylglyoxylic acidNSC-10572-(2,4-dihydroxyphenyl)-2-oxoaceticacid(2,4-DIHYDROXYPHENYL)GLYOXYLIC ACID
Database identifiers
- CAS
5336-27-6- PubChem CID
- 219596
- DTXSID
DTXSID30277187- Nikkaji
- J3.479.637H
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 94.8 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 225
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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