Basic information
- CAS
253-92-9- Standard SMILES
C1=c2ccccc2=NCO1- InChIKey
GTYZDORKFFSTLS-UHFFFAOYSA-N- Molecular formula
- C8H7NO
- Average molar mass
- 133.15 g/mol
- Monoisotopic mass
- 133.05276385
Names & identifiers
- Preferred name
- 2H-3,1-Benzoxazine
- IUPAC
- 2H-3,1-benzoxazine
Names & synonyms
2H-3,1-Benzoxazine253-92-9DTXSID00593043RefChem:268405DTXCID605438073,1-benzoxazineSCHEMBL52584SCHEMBL1449418SCHEMBL1449420SCHEMBL3041643GTYZDORKFFSTLS-UHFFFAOYSA-N
Database identifiers
- CAS
253-92-9- PubChem CID
- 18354516
- DTXSID
DTXSID00593043
Properties
Computed structural properties
- XLogP
- 1.1
- Topological polar surface area
- 21.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 258
Related reactions
1 records
Compound notes
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