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88195-24-8 | 4-Oxocanone, 3,3-dimethyl-
CAS No: 88195-24-8 Catalog No: AG004DYK MDL No:
Product Description
Catalog Number:
AG004DYK
Chemical Name:
4-Oxocanone, 3,3-dimethyl-
CAS Number:
88195-24-8
Molecular Formula:
C9H16O2
Molecular Weight:
156.2221
IUPAC Name:
3,3-dimethyloxocan-4-one
InChI:
InChI=1S/C9H16O2/c1-9(2)7-11-6-4-3-5-8(9)10/h3-7H2,1-2H3
InChI Key:
KSAWYCFDNQATED-UHFFFAOYSA-N
SMILES:
O=C1CCCCOCC1(C)C
Properties
Complexity:
150
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
156.115g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
156.225g/mol
Monoisotopic Mass:
156.115g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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