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850375-11-0 | 3-(1H-Pyrazol-5-yl)benzoic acid
CAS No: 850375-11-0 Catalog No: AG0036DP MDL No:MFCD09860594
Product Description
Catalog Number:
AG0036DP
Chemical Name:
3-(1H-Pyrazol-5-yl)benzoic acid
CAS Number:
850375-11-0
Molecular Formula:
C10H8N2O2
Molecular Weight:
188.1827
MDL Number:
MFCD09860594
IUPAC Name:
3-(1H-pyrazol-5-yl)benzoic acid
InChI:
InChI=1S/C10H8N2O2/c13-10(14)8-3-1-2-7(6-8)9-4-5-11-12-9/h1-6H,(H,11,12)(H,13,14)
InChI Key:
RXZRBZWATRFHCS-UHFFFAOYSA-N
SMILES:
OC(=O)c1cccc(c1)c1ccn[nH]1
Properties
Complexity:
220
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:
1.4
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