Basic information
- CAS
154365-41-0- Standard SMILES
Cc1ccc2c(c1)NC(=O)C(C)(C(=O)O)O2- InChIKey
GRLHKEFUJXAGOA-UHFFFAOYSA-N- Molecular formula
- C11H11NO4
- Average molar mass
- 221.21 g/mol
- Monoisotopic mass
- 221.06880783
Names & identifiers
- Preferred name
- 3,4-Dihydro-2,6-dimethyl-3-oxo-2H-1,4-benzoxazine-2-carboxylic acid
- IUPAC
- 2,6-dimethyl-3-oxo-4H-1,4-benzoxazine-2-carboxylic acid
Names & synonyms
154365-41-03,4-Dihydro-2,6-dimethyl-3-oxo-2H-1,4-benzoxazine-2-carboxylic acidRefChem:2709612,6-dimethyl-3-oxo-3,4-dihydro-2h-1,4-benzoxazine-2-carboxylic acidSCHEMBL8627768DTXSID001162489
Database identifiers
- CAS
154365-41-0- PubChem CID
- 21765026
- DTXSID
DTXSID001162489
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 75.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 330
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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