Basic information
- CAS
60723-72-0- Standard SMILES
Cc1ccc(-c2nc3cccc(C(C)C(=O)O)c3o2)cc1- InChIKey
UTSGVXIBHRIZFP-UHFFFAOYSA-N- Molecular formula
- C17H15NO3
- Average molar mass
- 281.3 g/mol
- Monoisotopic mass
- 281.10519334
Names & identifiers
- Preferred name
- 7-Benzoxazoleacetic acid, alpha-methyl-2-(4-methylphenyl)-
- IUPAC
- 2-[2-(4-methylphenyl)-1,3-benzoxazol-7-yl]propanoic acid
Names & synonyms
BRN 1136354alpha-Methyl-2-(4-methylphenyl)-7-benzoxazoleacetic acid60723-72-07-Benzoxazoleacetic acid, alpha-methyl-2-(4-methylphenyl)-RefChem:310318CHEMBL3275259DTXSID509761652-[2-(4-methylphenyl)-1,3-benzoxazol-7-yl]propanoic acid
Database identifiers
- CAS
60723-72-0- PubChem CID
- 3045443
- DTXSID
DTXSID50976165- ChEMBL
CHEMBL3275259
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 63.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 378
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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