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1136-76-1 | 1H-Pyrazole-5-carboxylic acid, 3-methyl-1-phenyl-
CAS No: 1136-76-1 Catalog No: AG000946 MDL No:MFCD01693509
Product Description
Catalog Number:
AG000946
Chemical Name:
1H-Pyrazole-5-carboxylic acid, 3-methyl-1-phenyl-
CAS Number:
1136-76-1
Molecular Formula:
C11H10N2O2
Molecular Weight:
202.2093
MDL Number:
MFCD01693509
IUPAC Name:
5-methyl-2-phenylpyrazole-3-carboxylic acid
InChI:
InChI=1S/C11H10N2O2/c1-8-7-10(11(14)15)13(12-8)9-5-3-2-4-6-9/h2-7H,1H3,(H,14,15)
InChI Key:
CLWQEWCCJFUHNV-UHFFFAOYSA-N
SMILES:
Cc1nn(c(c1)C(=O)O)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:
2.2
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