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77169-11-0 | 1H-Pyrazole-4-carboxylicacid, 3-methyl-1-phenyl-
CAS No: 77169-11-0 Catalog No: AG005PCC MDL No:MFCD01415214
Product Description
Catalog Number:
AG005PCC
Chemical Name:
1H-Pyrazole-4-carboxylicacid, 3-methyl-1-phenyl-
CAS Number:
77169-11-0
Molecular Formula:
C11H10N2O2
Molecular Weight:
202.2093
MDL Number:
MFCD01415214
IUPAC Name:
3-methyl-1-phenylpyrazole-4-carboxylic acid
InChI:
InChI=1S/C11H10N2O2/c1-8-10(11(14)15)7-13(12-8)9-5-3-2-4-6-9/h2-7H,1H3,(H,14,15)
InChI Key:
XSSINBQIDAICII-UHFFFAOYSA-N
SMILES:
OC(=O)c1cn(nc1C)c1ccccc1
Properties
Complexity:
239
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:
2
Topological Polar Surface Area:
55.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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