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100134-56-3 | Ethanone, 1-(4,5-dihydro-3-methyl-5-phenyl-1H-pyrazol-1-yl)-
CAS No: 100134-56-3 Catalog No: AG00012A MDL No:
Product Description
Catalog Number:
AG00012A
Chemical Name:
Ethanone, 1-(4,5-dihydro-3-methyl-5-phenyl-1H-pyrazol-1-yl)-
CAS Number:
100134-56-3
Molecular Formula:
C12H14N2O
Molecular Weight:
202.2524
IUPAC Name:
1-(5-methyl-3-phenyl-3,4-dihydropyrazol-2-yl)ethanone
InChI:
InChI=1S/C12H14N2O/c1-9-8-12(14(13-9)10(2)15)11-6-4-3-5-7-11/h3-7,12H,8H2,1-2H3
InChI Key:
DFKZGQLECGUOJV-UHFFFAOYSA-N
SMILES:
CC1=NN(C(C1)c1ccccc1)C(=O)C
Properties
Complexity:
279
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:
0
Isotope Atom Count:
0
Molecular Weight:
202.257g/mol
Monoisotopic Mass:
202.111g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
32.7A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1
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