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

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

CAS No.:
1329058-96-9
Catalog Number:
AG01DSWM
Molecular Formula:
C11H9NO2
Molecular Weight:
187.1947
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Product Description
Catalog Number:
AG01DSWM
Chemical Name:
3-(1H-pyrrol-2-yl)benzoic acid
CAS Number:
1329058-96-9
Molecular Formula:
C11H9NO2
Molecular Weight:
187.1947
MDL Number:
MFCD20661174
IUPAC Name:
3-(1H-pyrrol-2-yl)benzoic acid
InChI:
InChI=1S/C11H9NO2/c13-11(14)9-4-1-3-8(7-9)10-5-2-6-12-10/h1-7,12H,(H,13,14)
InChI Key:
LLVNRLHZSZPIJD-UHFFFAOYSA-N
SMILES:
OC(=O)c1cccc(c1)c1ccc[nH]1
Properties
Complexity:
217  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
187.063g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
187.198g/mol
Monoisotopic Mass:
187.063g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
53.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2  
Properties