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10199-53-8 | 1H-Pyrazole-3-carboxylic acid, 1-methyl-5-phenyl-
CAS No: 10199-53-8 Catalog No: AG000671 MDL No:MFCD08271933
Product Description
Catalog Number:
AG000671
Chemical Name:
1H-Pyrazole-3-carboxylic acid, 1-methyl-5-phenyl-
CAS Number:
10199-53-8
Molecular Formula:
C11H10N2O2
Molecular Weight:
202.2093
MDL Number:
MFCD08271933
IUPAC Name:
1-methyl-5-phenylpyrazole-3-carboxylic acid
InChI:
InChI=1S/C11H10N2O2/c1-13-10(7-9(12-13)11(14)15)8-5-3-2-4-6-8/h2-7H,1H3,(H,14,15)
InChI Key:
ZDUDGEACIDDEPL-UHFFFAOYSA-N
SMILES:
OC(=O)c1cc(n(n1)C)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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