Basic information
- CAS
17479-64-0- Standard SMILES
Cc1cc(O)c(C(=O)O)cc1C(C)C- InChIKey
WWWWTUNQOKAKHX-UHFFFAOYSA-N- Molecular formula
- C11H14O3
- Average molar mass
- 194.23 g/mol
- Monoisotopic mass
- 194.0942943
Names & identifiers
- Preferred name
- 2-Hydroxy-4-methyl-5-(1-methylethyl)benzoic acid
- IUPAC
- 2-hydroxy-4-methyl-5-propan-2-ylbenzoic acid
Names & synonyms
o-CYMENE-4-CARBOXYLIC ACID, 5-HYDROXY-17479-64-0DTXSID901698972-Hydroxy-4-methyl-5-(1-methylethyl)benzoic acidRefChem:1063379DTXCID4092388Benzoic acid, 2-hydroxy-4-methyl-5-(1-methylethyl)-BRN 32558135-Hydroxy-o-cymene-4-carboxylic acid2-Hydroxy-4-methyl-5-isopropylbenzoic acid2-10-00-00171 (Beilstein Handbook Reference)SCHEMBL9252960
Show more names
2-hydroxy-4-methyl-5-(propan-2-yl)benzoic acid
Database identifiers
- CAS
17479-64-0- PubChem CID
- 28567
- DTXSID
DTXSID90169897
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 57.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 213
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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