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143675-88-1 | 2-Cyclohexen-1-one, 3-chloro-6-ethyl-6-methyl-2-(2-propen-1-yl)-
CAS No: 143675-88-1 Catalog No: AG001I5S MDL No:
Product Description
Catalog Number:
AG001I5S
Chemical Name:
2-Cyclohexen-1-one, 3-chloro-6-ethyl-6-methyl-2-(2-propen-1-yl)-
CAS Number:
143675-88-1
Molecular Formula:
C12H17ClO
Molecular Weight:
212.7158
IUPAC Name:
3-chloro-6-ethyl-6-methyl-2-prop-2-enylcyclohex-2-en-1-one
InChI:
InChI=1S/C12H17ClO/c1-4-6-9-10(13)7-8-12(3,5-2)11(9)14/h4H,1,5-8H2,2-3H3
InChI Key:
ZPRNYBRZDSCMKE-UHFFFAOYSA-N
SMILES:
C=CCC1=C(Cl)CCC(C1=O)(C)CC
Properties
Complexity:
291
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
212.097g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
212.717g/mol
Monoisotopic Mass:
212.097g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
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