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88550-01-0 | Pyrano[2,3-c]pyrazol-6(1H)-one, 1-butyl-3,4-dimethyl-
CAS No: 88550-01-0 Catalog No: AG004DOS MDL No:
Product Description
Catalog Number:
AG004DOS
Chemical Name:
Pyrano[2,3-c]pyrazol-6(1H)-one, 1-butyl-3,4-dimethyl-
CAS Number:
88550-01-0
Molecular Formula:
C12H16N2O2
Molecular Weight:
220.2676
IUPAC Name:
1-butyl-3,4-dimethylpyrano[2,3-c]pyrazol-6-one
InChI:
InChI=1S/C12H16N2O2/c1-4-5-6-14-12-11(9(3)13-14)8(2)7-10(15)16-12/h7H,4-6H2,1-3H3
InChI Key:
PTDKNSKUIKBTEY-UHFFFAOYSA-N
SMILES:
CCCCn1nc(c2c1oc(=O)cc2C)C
Properties
Complexity:
314
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
220.121g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
220.272g/mol
Monoisotopic Mass:
220.121g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
44.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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