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1007541-87-8 | 1H-Pyrazole-4-carboxylic acid, 3-(2-methylphenyl)-
CAS No: 1007541-87-8 Catalog No: AG0002TK MDL No:
Product Description
Catalog Number:
AG0002TK
Chemical Name:
1H-Pyrazole-4-carboxylic acid, 3-(2-methylphenyl)-
CAS Number:
1007541-87-8
Molecular Formula:
C11H10N2O2
Molecular Weight:
202.2093
IUPAC Name:
5-(2-methylphenyl)-1H-pyrazole-4-carboxylic acid
InChI:
InChI=1S/C11H10N2O2/c1-7-4-2-3-5-8(7)10-9(11(14)15)6-12-13-10/h2-6H,1H3,(H,12,13)(H,14,15)
InChI Key:
SZQFGJAHAQPPLF-UHFFFAOYSA-N
SMILES:
Cc1ccccc1c1n[nH]cc1C(=O)O
Properties
Complexity:
245
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:
2
Isotope Atom Count:
0
Molecular Weight:
202.213g/mol
Monoisotopic Mass:
202.074g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
66A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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