Basic information
- Standard SMILES
COc1ccc(C(=O)[O-])c(C)c1[N+](=O)[O-]- InChIKey
SYDRTJUSQRGHJH-UHFFFAOYSA-M- Molecular formula
- C9H8NO5-
- Average molar mass
- 210.16 g/mol
Names & identifiers
- Preferred name
- 3-Nitro-4-methoxy-methylbenzoate
- IUPAC
- 4-methoxy-2-methyl-3-nitrobenzoate
Names & synonyms
3-nitro4-methoxy-methylbenzoate3-nitro-4-methoxy-methylbenzoateSYDRTJUSQRGHJH-UHFFFAOYSA-M
Database identifiers
- PubChem CID
- 18917052
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 95.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 1
- Heavy atoms
- 15
- Formal charge
- -1
- Complexity
- 256
Related reactions
9 records
Compound notes
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