Home Carboxys 4-benzyl-1H-pyrrole-3-carboxylic acid

4-benzyl-1H-pyrrole-3-carboxylic acid

CAS No.:
79600-80-9
Catalog Number:
AG01EKW2
Molecular Formula:
C12H11NO2
Molecular Weight:
201.2212
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Product Description
Catalog Number:
AG01EKW2
Chemical Name:
4-benzyl-1H-pyrrole-3-carboxylic acid
CAS Number:
79600-80-9
Molecular Formula:
C12H11NO2
Molecular Weight:
201.2212
MDL Number:
MFCD31438849
IUPAC Name:
4-benzyl-1H-pyrrole-3-carboxylic acid
InChI:
InChI=1S/C12H11NO2/c14-12(15)11-8-13-7-10(11)6-9-4-2-1-3-5-9/h1-5,7-8,13H,6H2,(H,14,15)
InChI Key:
HKMHYTCQZFILDE-UHFFFAOYSA-N
SMILES:
OC(=O)c1c[nH]cc1Cc1ccccc1
Properties
Complexity:
224  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
201.079g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
201.225g/mol
Monoisotopic Mass:
201.079g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
53.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2  
Properties