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Home Other Building Blocks 1-(3,4-Dimethylphenyl)-3-methyl-3-pyrazolin-5-one

1-(3,4-Dimethylphenyl)-3-methyl-3-pyrazolin-5-one

CAS No.:
18048-64-1
Catalog Number:
AG00220Z
Molecular Formula:
C12H14N2O
Molecular Weight:
202.2524
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Product Description
Catalog Number:
AG00220Z
Chemical Name:
1-(3,4-Dimethylphenyl)-3-methyl-3-pyrazolin-5-one
CAS Number:
18048-64-1
Molecular Formula:
C12H14N2O
Molecular Weight:
202.2524
MDL Number:
MFCD00638319
IUPAC Name:
2-(3,4-dimethylphenyl)-5-methyl-4H-pyrazol-3-one
InChI:
InChI=1S/C12H14N2O/c1-8-4-5-11(6-9(8)2)14-12(15)7-10(3)13-14/h4-6H,7H2,1-3H3
InChI Key:
GJBBAPXESBCGRU-UHFFFAOYSA-N
SMILES:
CC1=NN(C(=O)C1)c1ccc(c(c1)C)C
EC Number:
605-898-3
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:
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:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2  
Properties