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19019-49-9 | 2-Cyclohexen-1-one, 6-(acetyloxy)-3,5,5-trimethyl-
CAS No: 19019-49-9 Catalog No: AG002EE9 MDL No:
Product Description
Catalog Number:
AG002EE9
Chemical Name:
2-Cyclohexen-1-one, 6-(acetyloxy)-3,5,5-trimethyl-
CAS Number:
19019-49-9
Molecular Formula:
C11H16O3
Molecular Weight:
196.2429
IUPAC Name:
(4,6,6-trimethyl-2-oxocyclohex-3-en-1-yl) acetate
InChI:
InChI=1S/C11H16O3/c1-7-5-9(13)10(14-8(2)12)11(3,4)6-7/h5,10H,6H2,1-4H3
InChI Key:
PIJJANMPLRSMQN-UHFFFAOYSA-N
SMILES:
CC(=O)OC1C(=O)C=C(CC1(C)C)C
NSC Number:
110674
Properties
Complexity:
300
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
196.11g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
196.246g/mol
Monoisotopic Mass:
196.11g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
43.4A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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