Basic information
- CAS
77580-69-9- Standard SMILES
Cc1ccc(C2=NCC(=O)CO2)cc1- InChIKey
BUMIVVFUCLJKRE-UHFFFAOYSA-N- Molecular formula
- C11H11NO2
- Average molar mass
- 189.21 g/mol
- Monoisotopic mass
- 189.07897859
Names & identifiers
- Preferred name
- 4H-1,3-Oxazin-5(6H)-one, 2-(4-methylphenyl)-
- IUPAC
- 2-(4-methylphenyl)-4H-1,3-oxazin-5-one
Names & synonyms
4H-1,3-Oxazin-5(6H)-one, 2-(4-methylphenyl)-77580-69-9DTXSID70341937RefChem:297059DTXCID602930172-(4-Methylphenyl)-4H-1,3-oxazin-5(6H)-oneBUMIVVFUCLJKRE-UHFFFAOYSA-N2-(4-Methylphenyl)-4H-1,3-oxazin-5(6H)-one #5,6-Dihydro-2-(4-tolyl)-4H-1,3-oxazin-5-one
Database identifiers
- CAS
77580-69-9- PubChem CID
- 577139
- DTXSID
DTXSID70341937- Nikkaji
- J610.217D
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 38.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 252
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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