4-(Aziridin-1-yl)-7,8-dimethoxy-2H-1-benzopyran-2-one
Basic information
- CAS
3613-10-3- Standard SMILES
COc1ccc2c(N3CC3)cc(=O)oc2c1OC- InChIKey
JNMSHBCWHUYEQX-UHFFFAOYSA-N- Molecular formula
- C13H13NO4
- Average molar mass
- 247.25 g/mol
- Monoisotopic mass
- 247.0844579
Names & identifiers
- Preferred name
- 4-(Aziridin-1-yl)-7,8-dimethoxy-2H-1-benzopyran-2-one
- IUPAC
- 4-(aziridin-1-yl)-7,8-dimethoxychromen-2-one
Names & synonyms
3613-10-3NSC5244714-(Aziridin-1-yl)-7,8-dimethoxy-2H-1-benzopyran-2-oneDTXSID10326147NSC-524471DS-0052804-aziridin-1-yl-7,8-dimethoxy-chromen-2-one
Database identifiers
- CAS
3613-10-3- PubChem CID
- 352045
- DTXSID
DTXSID10326147
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 47.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 377
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Compound notes
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