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277299-70-4 | 3H-Pyrazol-3-one, 2-(3,4-dimethylphenyl)-1,2-dihydro-5-methyl-
CAS No: 277299-70-4 Catalog No: AG002ULH MDL No:MFCD09795980
Product Description
Catalog Number:
AG002ULH
Chemical Name:
3H-Pyrazol-3-one, 2-(3,4-dimethylphenyl)-1,2-dihydro-5-methyl-
CAS Number:
277299-70-4
Molecular Formula:
C12H14N2O
Molecular Weight:
202.2524
MDL Number:
MFCD09795980
IUPAC Name:
2-(3,4-dimethylphenyl)-5-methyl-1H-pyrazol-3-one
InChI:
InChI=1S/C12H14N2O/c1-8-4-5-11(6-9(8)2)14-12(15)7-10(3)13-14/h4-7,13H,1-3H3
InChI Key:
HBWBJCSXUJIDGN-UHFFFAOYSA-N
SMILES:
Cc1cc(=O)n([nH]1)c1ccc(c(c1)C)C
Properties
Complexity:
298
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
202.111g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
202.257g/mol
Monoisotopic Mass:
202.111g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
32.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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