5-Benzoxazoleacetic acid, alpha-methyl-2-(o-tolyl)-
Basic information
- CAS
54785-37-4- Standard SMILES
Cc1ccccc1-c1nc2cc(C(C)C(=O)O)ccc2o1- InChIKey
VGTADLXBZBVHSO-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-(o-tolyl)-
- IUPAC
- 2-[2-(2-methylphenyl)-1,3-benzoxazol-5-yl]propanoic acid
- English name
- α-Methyl-2-(2-methylphenyl)-5-benzoxazoleacetic acid
- Molecular formula
- C17H15NO3
- Molecular weight
- 281.3059
Names & synonyms
BRN 108395154785-37-4alpha-Methyl-2-(o-tolyl)-5-benzoxazoleacetic acid5-BENZOXAZOLEACETIC ACID, alpha-METHYL-2-(o-TOLYL)-RefChem:3012772-[2-(2-methylphenyl)-1,3-benzoxazol-5-yl]propanoic acidalpha-Methyl-2-(2-methylphenyl)-5-benzoxazoleacetic acidDTXSID80970116DB-309515α-Methyl-2-(2-methylphenyl)-5-benzoxazoleacetic acid
Database identifiers
- CAS
54785-37-4- PubChem CID
- 41179
- DTXSID
DTXSID80970116- Nikkaji
- J67.878C
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
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Compound notes
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