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Home > Other Building Blocks > 88550-04-3
88550-04-3 | Pyrano[2,3-c]pyrazol-6(2H)-one, 3,4-dimethyl-2-(1-methylethyl)-
CAS No: 88550-04-3 Catalog No: AG004FQ3 MDL No:
Product Description
Catalog Number:
AG004FQ3
Chemical Name:
Pyrano[2,3-c]pyrazol-6(2H)-one, 3,4-dimethyl-2-(1-methylethyl)-
CAS Number:
88550-04-3
Molecular Formula:
C11H14N2O2
Molecular Weight:
206.2411
IUPAC Name:
3,4-dimethyl-2-propan-2-ylpyrano[2,3-c]pyrazol-6-one
InChI:
InChI=1S/C11H14N2O2/c1-6(2)13-8(4)10-7(3)5-9(14)15-11(10)12-13/h5-6H,1-4H3
InChI Key:
IXOWLRRKKDERDQ-UHFFFAOYSA-N
SMILES:
O=c1cc(C)c2c(o1)nn(c2C)C(C)C
Properties
Complexity:
312
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
206.106g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
206.245g/mol
Monoisotopic Mass:
206.106g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
44.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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