Home Other Building Blocks 3-methyl-2-(1H-pyrrol-1-yl)benzoic acid

3-methyl-2-(1H-pyrrol-1-yl)benzoic acid

CAS No.:
953749-94-5
Catalog Number:
AG019MGN
Molecular Formula:
C12H11NO2
Molecular Weight:
201.2212
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Product Description
Catalog Number:
AG019MGN
Chemical Name:
3-methyl-2-(1H-pyrrol-1-yl)benzoic acid
CAS Number:
953749-94-5
Molecular Formula:
C12H11NO2
Molecular Weight:
201.2212
MDL Number:
MFCD09734685
IUPAC Name:
3-methyl-2-pyrrol-1-ylbenzoic acid
InChI:
InChI=1S/C12H11NO2/c1-9-5-4-6-10(12(14)15)11(9)13-7-2-3-8-13/h2-8H,1H3,(H,14,15)
InChI Key:
HUEZYBRDOHNVDX-UHFFFAOYSA-N
SMILES:
OC(=O)c1cccc(c1n1cccc1)C
Properties
Complexity:
236  
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:
1  
Isotope Atom Count:
0
Molecular Weight:
201.225g/mol
Monoisotopic Mass:
201.079g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
42.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2  
Properties