Basic information
- CAS
19420-61-2- Standard SMILES
CC(C)c1ccc(C(=O)O)c(O)c1O- InChIKey
ZHDLAGPONFNQMZ-UHFFFAOYSA-N- Molecular formula
- C10H12O4
- Average molar mass
- 196.2 g/mol
- Monoisotopic mass
- 196.07355886
Overview
2,3-dihydroxy-p-cumic acid is a dihydroxybenzoic acid. It is functionally related to a p-cumic acid. It is a conjugate acid of a 2,3-dihydroxy-p-cumate.
Names & identifiers
- Preferred name
- 2,3-Dihydroxy-4-(1-methylethyl)benzoic acid
- IUPAC
- 2,3-dihydroxy-4-propan-2-ylbenzoic acid
- English name
- 2,3-dihydroxy-p-cumic acid
- Molecular formula
- C10H12O4
- Molecular weight
- 196.2
Names & synonyms
2,3-dihydroxy-p-cumic acid4-isopropyl-o-Pyrocatechuic acid2,3-DIHYDROXY-4-(1-METHYLETHYL)BENZOIC ACID2,3-dihydroxy-4-(propan-2-yl)benzoic acid2,3-dihydroxy-4-isopropylbenzoic acid2,3-dihydroxy-4-propan-2-ylbenzoic acidC06580SCHEMBL2934039CHEBI:16725DTXSID70941138Q271020452,3-dihydroxy-4-isopropyl-benzoic acid
Show more names
Benzoic acid, 2,3-dihydroxy-4-(1-methylethyl)-
Database identifiers
- CAS
19420-61-2- PubChem CID
- 29587
- DTXSID
DTXSID70941138- ChEBI
CHEBI:16725- Nikkaji
- J1.608.435B
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 77.8 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 214
Chemistry & industry
Suppliers1 total
江苏艾康生物医药研发有限公司025-5885952 15955137747 · [email protected]
Additional notes
DefinitionChEBI: 2,3-dihydroxy-p-cumic acid is a dihydroxybenzoic acid. It is functionally related to a p-cumic acid. It is a conjugate acid of a 2,3-dihydroxy-p-cumate.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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