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116763-51-0 | Pyrano[2,3-c]pyrazol-6(1H)-one, 3,4-dimethyl-1-(2,2,2-trifluoroethyl)-
CAS No: 116763-51-0 Catalog No: AG000D7I MDL No:
Product Description
Catalog Number:
AG000D7I
Chemical Name:
Pyrano[2,3-c]pyrazol-6(1H)-one, 3,4-dimethyl-1-(2,2,2-trifluoroethyl)-
CAS Number:
116763-51-0
Molecular Formula:
C10H9F3N2O2
Molecular Weight:
246.1859
IUPAC Name:
3,4-dimethyl-1-(2,2,2-trifluoroethyl)pyrano[2,3-c]pyrazol-6-one
InChI:
InChI=1S/C10H9F3N2O2/c1-5-3-7(16)17-9-8(5)6(2)14-15(9)4-10(11,12)13/h3H,4H2,1-2H3
InChI Key:
PELVPHZFDQHMTR-UHFFFAOYSA-N
SMILES:
FC(Cn1nc(c2c1oc(=O)cc2C)C)(F)F
Properties
Complexity:
367
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
246.062g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
246.189g/mol
Monoisotopic Mass:
246.062g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
44.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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