Basic information
- CAS
52055-72-8- Standard SMILES
COc1ccc2c(c1)CN(C)CO2- InChIKey
FCJLVPFTCGWIJT-UHFFFAOYSA-N- Molecular formula
- C10H13NO2
- Average molar mass
- 179.22 g/mol
- Monoisotopic mass
- 179.09462866
Names & identifiers
- Preferred name
- 6-Methoxy-3-methyl-2,4-dihydro-1,3-benzoxazine
- IUPAC
- 6-methoxy-3-methyl-2,4-dihydro-1,3-benzoxazine
Names & synonyms
52055-72-86-methoxy-3-methyl-2,4-dihydro-1,3-benzoxazineNSC3513136-methoxy-3-methyl-3,4-dihydro-2H-1,3-benzoxazineSCHEMBL12328828DTXSID20319848NSC-351313
Database identifiers
- CAS
52055-72-8- PubChem CID
- 336558
- DTXSID
DTXSID20319848- Nikkaji
- J3.487.112D
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 21.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 174
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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