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79994-65-3 | 3H-Pyrazol-3-one, 1,2-dihydro-1,2,5-trimethyl-4-phenyl-
CAS No: 79994-65-3 Catalog No: AG0054BQ MDL No:
Product Description
Catalog Number:
AG0054BQ
Chemical Name:
3H-Pyrazol-3-one, 1,2-dihydro-1,2,5-trimethyl-4-phenyl-
CAS Number:
79994-65-3
Molecular Formula:
C12H14N2O
Molecular Weight:
202.2524
IUPAC Name:
1,2,5-trimethyl-4-phenylpyrazol-3-one
InChI:
InChI=1S/C12H14N2O/c1-9-11(10-7-5-4-6-8-10)12(15)14(3)13(9)2/h4-8H,1-3H3
InChI Key:
JROHRSZWVFCBIY-UHFFFAOYSA-N
SMILES:
Cc1n(C)n(c(=O)c1c1ccccc1)C
Properties
Complexity:
303
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:
23.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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