Basic information
- CAS
131172-70-8- Standard SMILES
C=Cn1c(C(=O)O)cc(CC)c1-c1ccccc1- InChIKey
FLAXOPKZWSUVJN-UHFFFAOYSA-N- Molecular formula
- C15H15NO2
- Average molar mass
- 241.28 g/mol
- Monoisotopic mass
- 241.11027872
Names & identifiers
- Preferred name
- 4-Ethyl-5-phenyl-1-vinyl-1H-pyrrole-2-carboxylic acid
- IUPAC
- 1-ethenyl-4-ethyl-5-phenylpyrrole-2-carboxylic acid
- English name
- 4-ETHYL-5-PHENYL-1-VINYL-1H-PYRROLE-2-CARBOXYLIC ACID
- Molecular formula
- C15H15NO2
- Molecular weight
- 241.29
Names & synonyms
131172-70-84-Ethyl-5-phenyl-1-vinyl-1H-pyrrole-2-carboxylic acid1-ethenyl-4-ethyl-5-phenylpyrrole-2-carboxylic acid1-Ethenyl-4-ethyl-5-phenyl-1H-pyrrole-2-carboxylic acid4-ethyl-5-phenyl-1-vinylpyrrole-2-carboxylic acidBAS 011540791H-Pyrrole-2-carboxylicacid, 1-ethenyl-4-ethyl-5-phenyl-Oprea1_264640Oprea1_409621MLS000033258CHEMBL1535058SCHEMBL15643471
Show more names
1H-Pyrrole-2-carboxylic acid, 1-ethenyl-4-ethyl-5-phenyl-
DTXSID703496104-ETHYL-5-PHENYL-1-VINYL-1H-PYRROLE-2-CARBOXYLICACIDHMS1685O13HMS2407I08SBB027676AKOS000301343SB63792SMR000010101
Database identifiers
- CAS
131172-70-8- PubChem CID
- 655461
- DTXSID
DTXSID70349610- ChEMBL
CHEMBL1535058- Nikkaji
- J519.357E
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 42.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 310
Physicochemical properties
- Boiling point
- 337.9 · 337.9±42.0 °C(Predicted)
- Density
- 1.09 · 1.09±0.1 g/cm3(Predicted)
- pka
- 4.6 · 4.60±0.41(Predicted)
- Hazard Codes
- Xi
- HazardClass
- IRRITANT
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- hazard_code
- Xi
- hazard_class
- IRRITANT
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Suppliers2 total
Alchem Pharmtech,Inc.8485655694 · [email protected]
重庆卡兰医药有限公司[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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