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817204-25-4 | Cyclooctanone, 2-[(4-chlorophenyl)methylene]-, (2E)-
CAS No: 817204-25-4 Catalog No: AG00518K MDL No:
Product Description
Catalog Number:
AG00518K
Chemical Name:
Cyclooctanone, 2-[(4-chlorophenyl)methylene]-, (2E)-
CAS Number:
817204-25-4
Molecular Formula:
C15H17ClO
Molecular Weight:
248.7479
IUPAC Name:
2-[(4-chlorophenyl)methylidene]cyclooctan-1-one
InChI:
InChI=1S/C15H17ClO/c16-14-9-7-12(8-10-14)11-13-5-3-1-2-4-6-15(13)17/h7-11H,1-6H2
InChI Key:
INXYLQNKCKUCJY-UHFFFAOYSA-N
SMILES:
Clc1ccc(cc1)/C=C/1\CCCCCCC1=O
Properties
Complexity:
287
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
248.097g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
248.75g/mol
Monoisotopic Mass:
248.097g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
4.7
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