Basic information
- CAS
64037-05-4- Standard SMILES
Cc1cccc(-c2nc3cc(C(C)C(=O)O)ccc3o2)c1- InChIKey
JDFQJYHRSPYWNQ-UHFFFAOYSA-N- Molecular formula
- C17H15NO3
- Average molar mass
- 281.3 g/mol
- Monoisotopic mass
- 281.10519334
Names & identifiers
- Preferred name
- 5-Benzoxazoleacetic acid, alpha-methyl-2-(m-tolyl)-
- IUPAC
- 2-[2-(3-methylphenyl)-1,3-benzoxazol-5-yl]propanoic acid
- English name
- α-Methyl-2-(3-methylphenyl)-5-benzoxazoleacetic acid
- Molecular formula
- C17H15NO3
- Molecular weight
- 281.31
Names & synonyms
BRN 1083952alpha-Methyl-2-(m-tolyl)-5-benzoxazoleacetic acid64037-05-45-BENZOXAZOLEACETIC ACID, alpha-METHYL-2-(m-TOLYL)-RefChem:3012762-[2-(3-methylphenyl)-1,3-benzoxazol-5-yl]propanoic acidalpha-Methyl-2-(3-methylphenyl)-5-benzoxazoleacetic acidDTXSID50982004DB-309516α-Methyl-2-(3-methylphenyl)-5-benzoxazoleacetic acid5-Benzoxazoleacetic acid, α-methyl-2-(3-methylphenyl)-
Database identifiers
- CAS
64037-05-4- PubChem CID
- 46378
- DTXSID
DTXSID50982004- Nikkaji
- J67.877E
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
- 386
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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