2-[3-(Hydroxymethyl)-1,4-dimethylnaphthalen-2-yl]benzoic acid
Basic information
- CAS
94549-42-5- Standard SMILES
Cc1c(CO)c(-c2ccccc2C(=O)O)c(C)c2ccccc12- InChIKey
GAANUVRKPNMSRJ-UHFFFAOYSA-N- Molecular formula
- C20H18O3
- Average molar mass
- 306.4 g/mol
- Monoisotopic mass
- 306.12559443
Names & identifiers
- Preferred name
- 2-[3-(Hydroxymethyl)-1,4-dimethylnaphthalen-2-yl]benzoic acid
- IUPAC
- 2-[3-(hydroxymethyl)-1,4-dimethylnaphthalen-2-yl]benzoic acid
Names & synonyms
94549-42-52-[3-(hydroxymethyl)-1,4-dimethylnaphthalen-2-yl]benzoic acidNSC113561DTXSID30297067NSC-113561DS-010407Benzoic acid,2-[3-(hydroxymethyl)-1,4-dimethyl-2-naphthalenyl]-
Database identifiers
- CAS
94549-42-5- PubChem CID
- 270795
- DTXSID
DTXSID30297067
Properties
Computed structural properties
- XLogP
- 4.2
- Topological polar surface area
- 57.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 421
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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