Benzeneacetic acid, alpha-methyl-3-(1H-pyrrol-2-ylcarbonyl)-
Basic information
- CAS
77614-43-8- Standard SMILES
CC(C(=O)O)c1cccc(C(=O)c2ccc[nH]2)c1- InChIKey
CFGUJZQKPYSGRP-UHFFFAOYSA-N- Molecular formula
- C14H13NO3
- Average molar mass
- 243.26 g/mol
- Monoisotopic mass
- 243.08954328
Names & identifiers
- Preferred name
- Benzeneacetic acid, alpha-methyl-3-(1H-pyrrol-2-ylcarbonyl)-
- IUPAC
- 2-[3-(1H-pyrrole-2-carbonyl)phenyl]propanoic acid
- English name
- alpha-Methyl-3-(1H-pyrrol-2-ylcarbonyl)benzeneacetic acid
- Molecular weight
- 0
Names & synonyms
77614-43-8alpha-Methyl-3-(1H-pyrrol-2-ylcarbonyl)benzeneacetic acidBenzeneacetic acid, alpha-methyl-3-(1H-pyrrol-2-ylcarbonyl)-RefChem:3242912-[3-(1H-pyrrole-2-carbonyl)phenyl]propanoic acid2-(3-(1H-Pyrrole-2-carbonyl)phenyl)propanoic acidDTXSID70998829
Database identifiers
- CAS
77614-43-8- PubChem CID
- 3060065
- DTXSID
DTXSID70998829
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 70.2 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 329
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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