Home Carboxys 4-Phenyl-1H-pyrazole-3-carboxylic acid

4-Phenyl-1H-pyrazole-3-carboxylic acid

CAS No.:
7510-56-7
Catalog Number:
AG005ECH
Molecular Formula:
C10H8N2O2
Molecular Weight:
188.1827
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Product Description
Catalog Number:
AG005ECH
Chemical Name:
4-Phenyl-1H-pyrazole-3-carboxylic acid
CAS Number:
7510-56-7
Molecular Formula:
C10H8N2O2
Molecular Weight:
188.1827
IUPAC Name:
4-phenyl-1H-pyrazole-5-carboxylic acid
InChI:
InChI=1S/C10H8N2O2/c13-10(14)9-8(6-11-12-9)7-4-2-1-3-5-7/h1-6H,(H,11,12)(H,13,14)
InChI Key:
LVFUUWLMDUOBLC-UHFFFAOYSA-N
SMILES:
OC(=O)c1n[nH]cc1c1ccccc1
NSC Number:
405733
Properties
Complexity:
214  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
188.059g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
188.186g/mol
Monoisotopic Mass:
188.059g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
66A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7  
Properties