6-Nitro-3-(2-oxopropyl)-1,3-benzoxazine-2,4-dione
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Basic information
- CAS
7466-69-5- Standard SMILES
CC(=O)Cn1c(=O)oc2ccc([N+](=O)[O-])cc2c1=O- InChIKey
YRUKULQVHZXZTB-UHFFFAOYSA-N- Molecular formula
- C11H8N2O6
- Average molar mass
- 264.19 g/mol
- Monoisotopic mass
- 264.03823598
Names & identifiers
- Preferred name
- 6-Nitro-3-(2-oxopropyl)-1,3-benzoxazine-2,4-dione
- IUPAC
- 6-nitro-3-(2-oxopropyl)-1,3-benzoxazine-2,4-dione
Names & synonyms
NSC4027367466-69-5DTXSID40323008NSC-4027363-acetonyl-6-nitro-1,3-benzoxazine-2,4-dione6-Nitro-3-(2-oxopropyl)-2H-1,3-benzoxazine-2,4(3H)-dione2H-1,3-Benzoxazine-2,4(3H)-dione, 6-nitro-3-(2-oxopropyl)-
Database identifiers
- CAS
7466-69-5- PubChem CID
- 345265
- DTXSID
DTXSID40323008
Properties
Computed structural propertiesFilling in
- XLogP
- 0.8
- Topological polar surface area
- 110 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 2
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 443
Related reactions
0 records
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Compound notes
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