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

2-(3-cyclopropyl-1H-pyrazol-1-yl)benzoic acid

CAS No.:
1285666-91-2
Catalog Number:
AG01AN9M
Molecular Formula:
C13H12N2O2
Molecular Weight:
228.2466
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Product Description
Catalog Number:
AG01AN9M
Chemical Name:
2-(3-cyclopropyl-1H-pyrazol-1-yl)benzoic acid
CAS Number:
1285666-91-2
Molecular Formula:
C13H12N2O2
Molecular Weight:
228.2466
MDL Number:
MFCD18064005
IUPAC Name:
2-(3-cyclopropylpyrazol-1-yl)benzoic acid
InChI:
InChI=1S/C13H12N2O2/c16-13(17)10-3-1-2-4-12(10)15-8-7-11(14-15)9-5-6-9/h1-4,7-9H,5-6H2,(H,16,17)
InChI Key:
FDGXCDUHVFBYAE-UHFFFAOYSA-N
SMILES:
OC(=O)c1ccccc1n1ccc(n1)C1CC1
Properties
Complexity:
304  
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  
Properties