Home Other Building Blocks 2-phenyl-2-(1H-pyrazol-1-yl)acetic acid

2-phenyl-2-(1H-pyrazol-1-yl)acetic acid

CAS No.:
87581-64-4
Catalog Number:
AG019XUE
Molecular Formula:
C11H10N2O2
Molecular Weight:
202.2093
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Product Description
Catalog Number:
AG019XUE
Chemical Name:
2-phenyl-2-(1H-pyrazol-1-yl)acetic acid
CAS Number:
87581-64-4
Molecular Formula:
C11H10N2O2
Molecular Weight:
202.2093
MDL Number:
MFCD00956850
IUPAC Name:
2-phenyl-2-pyrazol-1-ylacetic acid
InChI:
InChI=1S/C11H10N2O2/c14-11(15)10(13-8-4-7-12-13)9-5-2-1-3-6-9/h1-8,10H,(H,14,15)
InChI Key:
AMAPMVWSJNXHCG-UHFFFAOYSA-N
SMILES:
OC(=O)C(n1cccn1)c1ccccc1
Properties
Complexity:
227  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
202.074g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
202.213g/mol
Monoisotopic Mass:
202.074g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
55.1A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6  
Properties