Home Carbonyls 4-(1H-pyrrole-3-carbonyl)benzoic acid

4-(1H-pyrrole-3-carbonyl)benzoic acid

CAS No.:
1376039-74-5
Catalog Number:
AG019TAP
Molecular Formula:
C12H9NO3
Molecular Weight:
215.2048
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Product Description
Catalog Number:
AG019TAP
Chemical Name:
4-(1H-pyrrole-3-carbonyl)benzoic acid
CAS Number:
1376039-74-5
Molecular Formula:
C12H9NO3
Molecular Weight:
215.2048
MDL Number:
MFCD22056466
IUPAC Name:
4-(1H-pyrrole-3-carbonyl)benzoic acid
InChI:
InChI=1S/C12H9NO3/c14-11(10-5-6-13-7-10)8-1-3-9(4-2-8)12(15)16/h1-7,13H,(H,15,16)
InChI Key:
NODZICSEOKUQHG-UHFFFAOYSA-N
SMILES:
OC(=O)c1ccc(cc1)C(=O)c1c[nH]cc1
Properties
Complexity:
282  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
215.058g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
215.208g/mol
Monoisotopic Mass:
215.058g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
70.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6  
Properties