3-(2-methyl-2-oxiranylmethyl)-3H-benzoxazol-2-one
Basic information
- Standard SMILES
CC1(Cn2c(=O)oc3ccccc32)CO1- InChIKey
SVFLQEYGLZBOOM-UHFFFAOYSA-N- Molecular formula
- C11H11NO3
- Average molar mass
- 205.21 g/mol
- Monoisotopic mass
- 205.07389321
Names & identifiers
- Preferred name
- 3-(2-methyl-2-oxiranylmethyl)-3H-benzoxazol-2-one
- IUPAC
- 3-[(2-methyloxiran-2-yl)methyl]-1,3-benzoxazol-2-one
Names & synonyms
SCHEMBL5541140SVFLQEYGLZBOOM-UHFFFAOYSA-N3-(2-methyl-2-oxiranylmethyl)-3H-benzoxazol-2-one3-(2-methyloxiran-2-yl-methyl)-3H-benzoxazol-2-one
Database identifiers
- PubChem CID
- 23081537
Properties
Computed structural properties
- XLogP
- 1.2
- Topological polar surface area
- 42.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 294
Related reactions
4 records
Compound notes
Loading…