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86847-23-6 | 2-Cyclohexen-1-one, 5-[1-(chloromethyl)ethenyl]-2-methyl-, (R)-
CAS No: 86847-23-6 Catalog No: AG004M7P MDL No:
Product Description
Catalog Number:
AG004M7P
Chemical Name:
2-Cyclohexen-1-one, 5-[1-(chloromethyl)ethenyl]-2-methyl-, (R)-
CAS Number:
86847-23-6
Molecular Formula:
C10H13ClO
Molecular Weight:
184.6626
IUPAC Name:
(5R)-5-(3-chloroprop-1-en-2-yl)-2-methylcyclohex-2-en-1-one
InChI:
InChI=1S/C10H13ClO/c1-7-3-4-9(5-10(7)12)8(2)6-11/h3,9H,2,4-6H2,1H3/t9-/m1/s1
InChI Key:
AVURFBIZEPTIQC-SECBINFHSA-N
SMILES:
ClCC(=C)[C@@H]1CC=C(C(=O)C1)C
Properties
Complexity:
240
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
184.065g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
184.663g/mol
Monoisotopic Mass:
184.065g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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