Basic information
- CAS
21441-03-2- Standard SMILES
CN1C(=O)OC(C)(C)c2ccccc21- InChIKey
UKMXBWOKYGDZQA-UHFFFAOYSA-N- Molecular formula
- C11H13NO2
- Average molar mass
- 191.23 g/mol
- Monoisotopic mass
- 191.09462866
Names & identifiers
- Preferred name
- 4H-3,1-Benzoxazin-2-one, 1,2-dihydro-1,4,4-trimethyl-
- IUPAC
- 1,4,4-trimethyl-3,1-benzoxazin-2-one
Names & synonyms
BRN 064434521441-03-24H-3,1-BENZOXAZIN-2-ONE, 1,2-DIHYDRO-1,4,4-TRIMETHYL-DTXSID101757131,2-Dihydro-1,4,4-trimethyl-4H-3,1-benzoxazin-2-oneRefChem:297451DTXCID1098204SCHEMBL48488021,4,4-trimethyl-1,4-dihydro-2H-3,1-benzoxazin-2-one
Database identifiers
- CAS
21441-03-2- PubChem CID
- 30633
- DTXSID
DTXSID10175713- Nikkaji
- J41.906K
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 29.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 250
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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