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87848-93-9 | 2H-Pyran-2-one, 4,6-diacetyl-5,6-dihydro-6-methyl-
CAS No: 87848-93-9 Catalog No: AG004GYY MDL No:
Product Description
Catalog Number:
AG004GYY
Chemical Name:
2H-Pyran-2-one, 4,6-diacetyl-5,6-dihydro-6-methyl-
CAS Number:
87848-93-9
Molecular Formula:
C10H12O4
Molecular Weight:
196.1999
IUPAC Name:
2,4-diacetyl-2-methyl-3H-pyran-6-one
InChI:
InChI=1S/C10H12O4/c1-6(11)8-4-9(13)14-10(3,5-8)7(2)12/h4H,5H2,1-3H3
InChI Key:
JNTFYVDIEJMPSL-UHFFFAOYSA-N
SMILES:
O=C1C=C(CC(O1)(C)C(=O)C)C(=O)C
Properties
Complexity:
340
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
196.074g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
196.202g/mol
Monoisotopic Mass:
196.074g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
60.4A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.1
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