3-(5-p-Tolyl-1H-pyrrol-2-yl)-propionic acid
Basic information
- CAS
433233-80-8- Standard SMILES
Cc1ccc(-c2ccc(CCC(=O)O)[nH]2)cc1- InChIKey
WZGDOFSPJPDKIO-UHFFFAOYSA-N- Molecular formula
- C14H15NO2
- Average molar mass
- 229.27 g/mol
- Monoisotopic mass
- 229.11027872
Names & identifiers
- Preferred name
- 3-(5-p-Tolyl-1H-pyrrol-2-yl)-propionic acid
- IUPAC
- 3-[5-(4-methylphenyl)-1H-pyrrol-2-yl]propanoic acid
- English name
- 3-(5-p-Tolyl-1 H-pyrrol-2-yl)-propionic acid
- Molecular formula
- C14H15NO2
- Molecular weight
- 229.27
Names & synonyms
433233-80-83-(5-p-Tolyl-1H-pyrrol-2-yl)-propionic acid3-(5-(p-Tolyl)-1H-pyrrol-2-yl)propanoic acid3-[5-(4-methylphenyl)-1H-pyrrol-2-yl]propanoic acid3-[5-(p-tolyl)-1H-pyrrol-2-yl]propanoic acid3-[5-(4-methylphenyl)pyrrol-2-yl]propanoic acid3-(5-p-tolyl-1 h-pyrrol-2-yl)-propionic acidCambridge id 6860239TimTec1_007247Oprea1_331904Oprea1_619375DTXSID20351708
Show more names
1H-Pyrrole-2-propanoic acid, 5-(4-methylphenyl)-
HMS1554J09HTS13498SBB027919STK068605AKOS000300207SB62829CS-0332282EU-0014500
Database identifiers
- CAS
433233-80-8- PubChem CID
- 707478
- DTXSID
DTXSID20351708
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 53.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 259
Physicochemical properties
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P305+P351+P338
- Hazard Codes
- Xi,Xn
- Risk Statements
- 22 · 22
- 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
- risk_code
- 22
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi,Xn
- hazard_class
- IRRITANT
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
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Related reactions
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Compound notes
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