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17472-04-7 | Cyclohexanone, 2-(acetyloxy)-
CAS No: 17472-04-7 Catalog No: AG001ZX6 MDL No:
Product Description
Catalog Number:
AG001ZX6
Chemical Name:
Cyclohexanone, 2-(acetyloxy)-
CAS Number:
17472-04-7
Molecular Formula:
C8H12O3
Molecular Weight:
156.1791
IUPAC Name:
(2-oxocyclohexyl) acetate
InChI:
InChI=1S/C8H12O3/c1-6(9)11-8-5-3-2-4-7(8)10/h8H,2-5H2,1H3
InChI Key:
DVPFXXZVXFSUTH-UHFFFAOYSA-N
SMILES:
CC(=O)OC1CCCCC1=O
Properties
Complexity:
174
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
156.079g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
156.181g/mol
Monoisotopic Mass:
156.079g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
43.4A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
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