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131-65-7 | 3H-Pyrazol-3-one, 2-(2-ethylphenyl)-2,4-dihydro-5-methyl-
CAS No: 131-65-7 Catalog No: AG000VBA MDL No:
Product Description
Catalog Number:
AG000VBA
Chemical Name:
3H-Pyrazol-3-one, 2-(2-ethylphenyl)-2,4-dihydro-5-methyl-
CAS Number:
131-65-7
Molecular Formula:
C12H14N2O
Molecular Weight:
202.2524
IUPAC Name:
2-(2-ethylphenyl)-5-methyl-4H-pyrazol-3-one
InChI:
InChI=1S/C12H14N2O/c1-3-10-6-4-5-7-11(10)14-12(15)8-9(2)13-14/h4-7H,3,8H2,1-2H3
InChI Key:
HKFAMUCGCCUZMC-UHFFFAOYSA-N
SMILES:
CCc1ccccc1N1N=C(CC1=O)C
EC Number:
205-034-1
Properties
Complexity:
285
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:
2
Topological Polar Surface Area:
32.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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