2H-1,4-Benzoxazine-6-acetic acid, 3-(4-methylphenyl)-
Basic information
- CAS
86818-28-2- Standard SMILES
Cc1ccc(C2=Nc3cc(CC(=O)O)ccc3OC2)cc1- InChIKey
GWTJYNZTDUGYCE-UHFFFAOYSA-N- Molecular formula
- C17H15NO3
- Average molar mass
- 281.3 g/mol
- Monoisotopic mass
- 281.10519334
Names & identifiers
- Preferred name
- 2H-1,4-Benzoxazine-6-acetic acid, 3-(4-methylphenyl)-
- IUPAC
- 2-[3-(4-methylphenyl)-2H-1,4-benzoxazin-6-yl]acetic acid
Names & synonyms
BRN 450926686818-28-22H-1,4-BENZOXAZINE-6-ACETIC ACID, 3-(4-METHYLPHENYL)-3-p-Tolyl-2H-1,4-benzoxazine-6-acetic acid3-(4-Methylphenyl)-2H-1,4-benzoxazine-6-acetic acidDTXSID40235839RefChem:268031DTXCID201583302-[3-(4-methylphenyl)-2H-1,4-benzoxazin-6-yl]acetic acid[3-(4-METHYLPHENYL)-2H-1,4-BENZOXAZIN-6-YL]ACETIC ACID
Database identifiers
- CAS
86818-28-2- PubChem CID
- 3033720
- DTXSID
DTXSID40235839
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 58.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 412
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Compound notes
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