Basic information
- CAS
58902-77-5- Standard SMILES
CCCn1cc([N+](=O)[O-])cc1C(=O)OCC- InChIKey
FZCVMZVOIVTRFD-UHFFFAOYSA-N- Molecular formula
- C10H14N2O4
- Average molar mass
- 226.23 g/mol
- Monoisotopic mass
- 226.09535693
Names & identifiers
- Preferred name
- 1H-Pyrrole-2-carboxylic acid, 4-nitro-1-propyl-, ethyl ester
- IUPAC
- ethyl 4-nitro-1-propylpyrrole-2-carboxylate
Names & synonyms
58902-77-51H-Pyrrole-2-carboxylic acid, 4-nitro-1-propyl-, ethyl ester1-propyl-4-nitro-1H-pyrrole-2-carboxylic acid ethyl esterethyl 4-nitro-1-propyl-1H-pyrrole-2-carboxylateSCHEMBL5889676DTXSID70358606FZCVMZVOIVTRFD-UHFFFAOYSA-NAKOS018718664DB-206162AG-690/330320234-Nitro-1-propyl-1h-pyrrole-2-carboxylic acid ethyl ester
Database identifiers
- CAS
58902-77-5- PubChem CID
- 904072
- DTXSID
DTXSID70358606
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 77.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 264
Related reactions
4 records
Compound notes
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