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123315-86-6 | Cyclohexanone, 5-[1-(chloromethyl)ethenyl]-2-methyl-, (5R)-
CAS No: 123315-86-6 Catalog No: AG000KBF MDL No:
Product Description
Catalog Number:
AG000KBF
Chemical Name:
Cyclohexanone, 5-[1-(chloromethyl)ethenyl]-2-methyl-, (5R)-
CAS Number:
123315-86-6
Molecular Formula:
C10H15ClO
Molecular Weight:
186.6785
IUPAC Name:
5-(3-chloroprop-1-en-2-yl)-2-methylcyclohexan-1-one
InChI:
InChI=1S/C10H15ClO/c1-7-3-4-9(5-10(7)12)8(2)6-11/h7,9H,2-6H2,1H3
InChI Key:
VCZILFYTCVKAQP-UHFFFAOYSA-N
SMILES:
ClCC(=C)[C@@H]1CCC(C(=O)C1)C
Properties
Complexity:
198
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
186.081g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
186.679g/mol
Monoisotopic Mass:
186.081g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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