3-Methyl-2-nitrophenyl acetate
Basic information
- CAS
5345-39-1- Standard SMILES
CC(=O)Oc1cccc(C)c1[N+](=O)[O-]- InChIKey
OGANFORYRZEXQI-UHFFFAOYSA-N- Molecular formula
- C9H9NO4
- Average molar mass
- 195.17 g/mol
- Monoisotopic mass
- 195.05315777
Names & identifiers
- Preferred name
- 3-Methyl-2-nitrophenyl acetate
- IUPAC
- (3-methyl-2-nitrophenyl) acetate
Names & synonyms
3-methyl-2-nitrophenyl acetate5345-39-1NSC3037DTXSID10277605NSC-3037
Database identifiers
- CAS
5345-39-1- PubChem CID
- 220396
- DTXSID
DTXSID10277605
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 72.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 235
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Related reactions
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Compound notes
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