Home Carboxys 4-Benzoyl-1H-pyrrole-2-carboxylic acid

4-Benzoyl-1H-pyrrole-2-carboxylic acid

CAS No.:
15372-84-6
Catalog Number:
AG007HPC
Molecular Formula:
C12H9NO3
Molecular Weight:
215.2048
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Product Description
Catalog Number:
AG007HPC
Chemical Name:
4-Benzoyl-1H-pyrrole-2-carboxylic acid
CAS Number:
15372-84-6
Molecular Formula:
C12H9NO3
Molecular Weight:
215.2048
MDL Number:
MFCD03001199
IUPAC Name:
4-benzoyl-1H-pyrrole-2-carboxylic acid
InChI:
InChI=1S/C12H9NO3/c14-11(8-4-2-1-3-5-8)9-6-10(12(15)16)13-7-9/h1-7,13H,(H,15,16)
InChI Key:
ZAOGOXQEINPQGB-UHFFFAOYSA-N
SMILES:
O=C(c1c[nH]c(c1)C(=O)O)c1ccccc1
Properties
Complexity:
284  
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:
1.9  
Properties