Basic information
- Standard SMILES
COCCN(CCOC)c1ccc(C(=O)O)cc1[N+](=O)[O-]- InChIKey
IXEJKOITYCIRCJ-UHFFFAOYSA-N- Molecular formula
- C13H18N2O6
- Average molar mass
- 298.29 g/mol
Names & identifiers
- Preferred name
- 4-[Bis(2-methoxyethyl)amino]-3-nitrobenzoic acid
- IUPAC
- 4-[bis(2-methoxyethyl)amino]-3-nitrobenzoic acid
Names & synonyms
1140461-98-84-[bis(2-methoxyethyl)amino]-3-nitrobenzoic acidSCHEMBL2814959IXEJKOITYCIRCJ-UHFFFAOYSA-NAKOS008963350DA-15331
Database identifiers
- PubChem CID
- 59606538
Properties
Computed structural properties
- XLogP
- 1.1
- Topological polar surface area
- 105 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 8
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 338
Related reactions
7 records
Compound notes
Loading…