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113388-20-8 | 3,5-Hexadien-2-one, 6-(4-chlorophenyl)-, (E,Z)- (9CI)
CAS No: 113388-20-8 Catalog No: AG0008DJ MDL No:
Product Description
Catalog Number:
AG0008DJ
Chemical Name:
3,5-Hexadien-2-one, 6-(4-chlorophenyl)-, (E,Z)- (9CI)
CAS Number:
113388-20-8
Molecular Formula:
C12H11ClO
Molecular Weight:
206.6681
IUPAC Name:
6-(4-chlorophenyl)hexa-3,5-dien-2-one
InChI:
InChI=1S/C12H11ClO/c1-10(14)4-2-3-5-11-6-8-12(13)9-7-11/h2-9H,1H3
InChI Key:
OYNDDTKLQVOCQL-UHFFFAOYSA-N
SMILES:
CC(=O)/C=C/C=C\c1ccc(cc1)Cl
Properties
Complexity:
235
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
206.05g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
206.669g/mol
Monoisotopic Mass:
206.05g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
2
XLogP3:
3.3
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