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87763-99-3 | 2-Propanone, 1-[1-(acetyloxy)cyclohexyl]-
CAS No: 87763-99-3 Catalog No: AG004LG6 MDL No:
Product Description
Catalog Number:
AG004LG6
Chemical Name:
2-Propanone, 1-[1-(acetyloxy)cyclohexyl]-
CAS Number:
87763-99-3
Molecular Formula:
C11H18O3
Molecular Weight:
198.2588
IUPAC Name:
[1-(2-oxopropyl)cyclohexyl] acetate
InChI:
InChI=1S/C11H18O3/c1-9(12)8-11(14-10(2)13)6-4-3-5-7-11/h3-8H2,1-2H3
InChI Key:
ZWUWIJFCXAPOSL-UHFFFAOYSA-N
SMILES:
CC(=O)CC1(CCCCC1)OC(=O)C
Properties
Complexity:
227
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
198.126g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
198.262g/mol
Monoisotopic Mass:
198.126g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
43.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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