Basic information
- Standard SMILES
C=C(C)COC(=O)Oc1ccc([N+](=O)[O-])cc1- InChIKey
PHOKTOQNMSJSCX-UHFFFAOYSA-N- Molecular formula
- C11H11NO5
- Average molar mass
- 237.21 g/mol
- Monoisotopic mass
- 237.06372245
Names & identifiers
- Preferred name
- Carbonic acid 2-methylallyl ester 4-nitrophenyl ester
- IUPAC
- 2-methylprop-2-enyl (4-nitrophenyl) carbonate
Names & synonyms
SCHEMBL2597257PHOKTOQNMSJSCX-UHFFFAOYSA-NCarbonic acid 2-methylallyl ester 4-nitrophenyl ester
Database identifiers
- PubChem CID
- 67469869
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 81.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 301
Related reactions
3 records
Compound notes
Loading…