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88656-06-8 | Cyclohexanone, 3-(3-chloro-1-methylenepropyl)-2-methyl-
CAS No: 88656-06-8 Catalog No: AG0047VN MDL No:
Product Description
Catalog Number:
AG0047VN
Chemical Name:
Cyclohexanone, 3-(3-chloro-1-methylenepropyl)-2-methyl-
CAS Number:
88656-06-8
Molecular Formula:
C11H17ClO
Molecular Weight:
200.7051
IUPAC Name:
3-(4-chlorobut-1-en-2-yl)-2-methylcyclohexan-1-one
InChI:
InChI=1S/C11H17ClO/c1-8(6-7-12)10-4-3-5-11(13)9(10)2/h9-10H,1,3-7H2,2H3
InChI Key:
PCKJGCWRNPOKPH-UHFFFAOYSA-N
SMILES:
CC1C(CCCC1=O)C(=C)CCCl
Properties
Complexity:
210
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
200.097g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
200.706g/mol
Monoisotopic Mass:
200.097g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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