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88459-75-0 | 7-Octen-2-one, 7-chloro-
CAS No: 88459-75-0 Catalog No: AG004F9U MDL No:
Product Description
Catalog Number:
AG004F9U
Chemical Name:
7-Octen-2-one, 7-chloro-
CAS Number:
88459-75-0
Molecular Formula:
C8H13ClO
Molecular Weight:
160.6412
IUPAC Name:
7-chlorooct-7-en-2-one
InChI:
InChI=1S/C8H13ClO/c1-7(9)5-3-4-6-8(2)10/h1,3-6H2,2H3
InChI Key:
DEKAIMIZACZJAB-UHFFFAOYSA-N
SMILES:
ClC(=C)CCCCC(=O)C
Properties
Complexity:
129
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
160.065g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
160.641g/mol
Monoisotopic Mass:
160.065g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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