Methyl 3-hydroxy-2,5-dimethylbenzoate
Basic information
- CAS
27023-04-7- Standard SMILES
COC(=O)c1cc(C)cc(O)c1C- InChIKey
BTWZKTPNDUBFKQ-UHFFFAOYSA-N- Molecular formula
- C10H12O3
- Average molar mass
- 180.2 g/mol
- Monoisotopic mass
- 180.07864424
Names & identifiers
- Preferred name
- Methyl 3-hydroxy-2,5-dimethylbenzoate
- IUPAC
- methyl 3-hydroxy-2,5-dimethylbenzoate
- English name
- Methyl 3-hydroxy-2,5-diMethylbenzoate
- Molecular formula
- C10H12O3
- Molecular weight
- 180.2
Names & synonyms
methyl 3-hydroxy-2,5-dimethylbenzoate27023-04-7NSC107186Benzoic acid,3-hydroxy-2,5-dimethyl-, methyl esterDTXSID90296031NSC-107186Benzoic acid, 3-hydroxy-2,5-dimethyl-, methyl ester
Database identifiers
- CAS
27023-04-7- PubChem CID
- 267649
- DTXSID
DTXSID90296031
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 46.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 191
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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