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101771-59-9 | 3H-Pyrazol-3-one, 2,4-dihydro-5-methyl-2-(2-methylbenzoyl)-
CAS No: 101771-59-9 Catalog No: AG0005GV MDL No:
Product Description
Catalog Number:
AG0005GV
Chemical Name:
3H-Pyrazol-3-one, 2,4-dihydro-5-methyl-2-(2-methylbenzoyl)-
CAS Number:
101771-59-9
Molecular Formula:
C12H12N2O2
Molecular Weight:
216.2359
IUPAC Name:
5-methyl-2-(2-methylbenzoyl)-4H-pyrazol-3-one
InChI:
InChI=1S/C12H12N2O2/c1-8-5-3-4-6-10(8)12(16)14-11(15)7-9(2)13-14/h3-6H,7H2,1-2H3
InChI Key:
IENKOGKMFFBZEB-UHFFFAOYSA-N
SMILES:
CC1=NN(C(=O)C1)C(=O)c1ccccc1C
Properties
Complexity:
349
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:
0
Isotope Atom Count:
0
Molecular Weight:
216.24g/mol
Monoisotopic Mass:
216.09g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
49.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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