Basic information
- Standard SMILES
COC(=O)Cc1ccc([N+](=O)[O-])c(N(C)C)c1- InChIKey
PMBMUFAKLFUCNI-UHFFFAOYSA-N- Molecular formula
- C11H14N2O4
- Average molar mass
- 238.24 g/mol
Names & identifiers
- Preferred name
- (3-Dimethylamino-4-nitrophenyl)acetic acid methyl ester
- IUPAC
- methyl 2-[3-(dimethylamino)-4-nitrophenyl]acetate
Names & synonyms
(3-Dimethylamino-4-nitrophenyl)acetic acid methyl esterSCHEMBL3726006PMBMUFAKLFUCNI-UHFFFAOYSA-N(3-Dimethylamino-4-nitrophenyl) acetic acid methyl ester
Database identifiers
- PubChem CID
- 57683228
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 75.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 288
Related reactions
2 records
Compound notes
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