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88550-15-6 | Pyrano[2,3-c]pyrazol-6(2H)-one, 2-benzoyl-3,4-dimethyl-
CAS No: 88550-15-6 Catalog No: AG004FPZ MDL No:
Product Description
Catalog Number:
AG004FPZ
Chemical Name:
Pyrano[2,3-c]pyrazol-6(2H)-one, 2-benzoyl-3,4-dimethyl-
CAS Number:
88550-15-6
Molecular Formula:
C15H12N2O3
Molecular Weight:
268.2674
IUPAC Name:
2-benzoyl-3,4-dimethylpyrano[2,3-c]pyrazol-6-one
InChI:
InChI=1S/C15H12N2O3/c1-9-8-12(18)20-14-13(9)10(2)17(16-14)15(19)11-6-4-3-5-7-11/h3-8H,1-2H3
InChI Key:
DEAHSAJGYYODGF-UHFFFAOYSA-N
SMILES:
O=c1cc(C)c2c(o1)nn(c2C)C(=O)c1ccccc1
Properties
Complexity:
454
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
268.085g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
268.272g/mol
Monoisotopic Mass:
268.085g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
61.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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