Home Other Building Blocks 2-methyl-4-(1H-pyrrol-1-yl)benzoic acid

2-methyl-4-(1H-pyrrol-1-yl)benzoic acid

CAS No.:
1247666-07-4
Catalog Number:
AG01AATM
Molecular Formula:
C12H11NO2
Molecular Weight:
201.2212
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Product Description
Catalog Number:
AG01AATM
Chemical Name:
2-methyl-4-(1H-pyrrol-1-yl)benzoic acid
CAS Number:
1247666-07-4
Molecular Formula:
C12H11NO2
Molecular Weight:
201.2212
MDL Number:
MFCD16117821
IUPAC Name:
2-methyl-4-pyrrol-1-ylbenzoic acid
InChI:
InChI=1S/C12H11NO2/c1-9-8-10(13-6-2-3-7-13)4-5-11(9)12(14)15/h2-8H,1H3,(H,14,15)
InChI Key:
RAECIJDHJSGACW-UHFFFAOYSA-N
SMILES:
OC(=O)c1ccc(cc1C)n1cccc1
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