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10250-64-3 | 1H-Pyrazole-5-carboxylic acid, 1-methyl-3-phenyl-
CAS No: 10250-64-3 Catalog No: AG0007LC MDL No:MFCD08271939
Product Description
Catalog Number:
AG0007LC
Chemical Name:
1H-Pyrazole-5-carboxylic acid, 1-methyl-3-phenyl-
CAS Number:
10250-64-3
Molecular Formula:
C11H10N2O2
Molecular Weight:
202.2093
MDL Number:
MFCD08271939
IUPAC Name:
2-methyl-5-phenylpyrazole-3-carboxylic acid
InChI:
InChI=1S/C11H10N2O2/c1-13-10(11(14)15)7-9(12-13)8-5-3-2-4-6-8/h2-7H,1H3,(H,14,15)
InChI Key:
RTBQZMPYPFQBHA-UHFFFAOYSA-N
SMILES:
OC(=O)c1cc(nn1C)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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