Home Carboxys 2-ethyl-5-phenyl-1H-pyrrole-3-carboxylic acid

2-ethyl-5-phenyl-1H-pyrrole-3-carboxylic acid

CAS No.:
1518107-12-4
Catalog Number:
AG01BJ8V
Molecular Formula:
C13H13NO2
Molecular Weight:
215.2478
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Product Description
Catalog Number:
AG01BJ8V
Chemical Name:
2-ethyl-5-phenyl-1H-pyrrole-3-carboxylic acid
CAS Number:
1518107-12-4
Molecular Formula:
C13H13NO2
Molecular Weight:
215.2478
MDL Number:
MFCD30752369
IUPAC Name:
2-ethyl-5-phenyl-1H-pyrrole-3-carboxylic acid
InChI:
InChI=1S/C13H13NO2/c1-2-11-10(13(15)16)8-12(14-11)9-6-4-3-5-7-9/h3-8,14H,2H2,1H3,(H,15,16)
InChI Key:
PGJVVRWQDUXJER-UHFFFAOYSA-N
SMILES:
CCc1[nH]c(cc1C(=O)O)c1ccccc1
Properties
Complexity:
248  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
215.095g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
215.252g/mol
Monoisotopic Mass:
215.095g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
53.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7  
Properties