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124344-99-6 | 1H-Pyrazole-3-carboxylic acid, 1-methyl-5-(4-methylphenyl)-
CAS No: 124344-99-6 Catalog No: AG000LWS MDL No:MFCD08446140
Product Description
Catalog Number:
AG000LWS
Chemical Name:
1H-Pyrazole-3-carboxylic acid, 1-methyl-5-(4-methylphenyl)-
CAS Number:
124344-99-6
Molecular Formula:
C12H12N2O2
Molecular Weight:
216.2359
MDL Number:
MFCD08446140
IUPAC Name:
1-methyl-5-(4-methylphenyl)pyrazole-3-carboxylic acid
InChI:
InChI=1S/C12H12N2O2/c1-8-3-5-9(6-4-8)11-7-10(12(15)16)13-14(11)2/h3-7H,1-2H3,(H,15,16)
InChI Key:
YEUAPBXLRBVFJX-UHFFFAOYSA-N
SMILES:
Cc1ccc(cc1)c1cc(nn1C)C(=O)O
Properties
Complexity:
262
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
216.09g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
216.24g/mol
Monoisotopic Mass:
216.09g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
55.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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