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3-cyclopropyl-1-phenyl-1H-pyrazole-5-carboxylic acid

CAS No.:
890593-19-8
Catalog Number:
AG00IFKJ
Molecular Formula:
C13H12N2O2
Molecular Weight:
228.2466
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Product Description
Catalog Number:
AG00IFKJ
Chemical Name:
3-cyclopropyl-1-phenyl-1H-pyrazole-5-carboxylic acid
CAS Number:
890593-19-8
Molecular Formula:
C13H12N2O2
Molecular Weight:
228.2466
MDL Number:
MFCD06378233
IUPAC Name:
5-cyclopropyl-2-phenylpyrazole-3-carboxylic acid
InChI:
InChI=1S/C13H12N2O2/c16-13(17)12-8-11(9-6-7-9)14-15(12)10-4-2-1-3-5-10/h1-5,8-9H,6-7H2,(H,16,17)
InChI Key:
JFQCXXRFZAYTNZ-UHFFFAOYSA-N
SMILES:
OC(=O)c1cc(nn1c1ccccc1)C1CC1
Properties
Complexity:
298  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
228.09g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
228.251g/mol
Monoisotopic Mass:
228.09g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
55.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3  
Literature
Title Journal
Microsphere-based protease assays and screening application for lethal factor and factor Xa. Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501
Properties