3-(4-nitrophenyl)-3-(1H-pyrrol-1-yl)propanoic acid
Basic information
- CAS
866019-35-4- Standard SMILES
O=C(O)CC(c1ccc([N+](=O)[O-])cc1)n1cccc1- InChIKey
HLNWXAGAISCNHC-UHFFFAOYSA-N- Molecular formula
- C13H12N2O4
- Average molar mass
- 260.24 g/mol
- Monoisotopic mass
- 260.07970687
Names & identifiers
- Preferred name
- 3-(4-nitrophenyl)-3-(1H-pyrrol-1-yl)propanoic acid
- IUPAC
- 3-(4-nitrophenyl)-3-pyrrol-1-ylpropanoic acid
Names & synonyms
3-(4-nitrophenyl)-3-(1H-pyrrol-1-yl)propanoic acid866019-35-43-(4-nitrophenyl)-3-pyrrol-1-ylpropanoic acidMFCD037877233-(4-nitrophenyl)-3-pyrrol-1-yl-propanoic AcidDTXSID701250582AKOS0050916994W-0882I(2)-(4-Nitrophenyl)-1H-pyrrole-1-propanoic acid3-(4-nitrophenyl)-3-(1H-pyrrol-1-yl)propanoicacid
Database identifiers
- CAS
866019-35-4- PubChem CID
- 3759060
- DTXSID
DTXSID701250582
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 88.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 328
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Compound notes
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