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Home Other Building Blocks 3H-Pyrazol-3-one, 2,4-dihydro-5-methyl-2-(2-methylphenyl)-

3H-Pyrazol-3-one, 2,4-dihydro-5-methyl-2-(2-methylphenyl)-

CAS No.:
29211-55-0
Catalog Number:
AG002XPI
Molecular Formula:
C11H12N2O
Molecular Weight:
188.2258
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Product Description
Catalog Number:
AG002XPI
Chemical Name:
3H-Pyrazol-3-one, 2,4-dihydro-5-methyl-2-(2-methylphenyl)-
CAS Number:
29211-55-0
Molecular Formula:
C11H12N2O
Molecular Weight:
188.2258
MDL Number:
MFCD00461405
IUPAC Name:
5-methyl-2-(2-methylphenyl)-4H-pyrazol-3-one
InChI:
InChI=1S/C11H12N2O/c1-8-5-3-4-6-10(8)13-11(14)7-9(2)12-13/h3-6H,7H2,1-2H3
InChI Key:
GENSTRUCMIZOCD-UHFFFAOYSA-N
SMILES:
CC1=NN(C(=O)C1)c1ccccc1C
NSC Number:
92786
Properties
Complexity:
273  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
188.095g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
188.23g/mol
Monoisotopic Mass:
188.095g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
32.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6  
Literature
Title Journal
Microsphere-based protease assays and screening application for lethal factor and factor Xa. Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501
Properties