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88702-49-2 | 2,5-Heptadien-4-one, 2-(4-chlorophenyl)-6-methyl-, (Z)-
CAS No: 88702-49-2 Catalog No: AG0046E6 MDL No:
Product Description
Catalog Number:
AG0046E6
Chemical Name:
2,5-Heptadien-4-one, 2-(4-chlorophenyl)-6-methyl-, (Z)-
CAS Number:
88702-49-2
Molecular Formula:
C14H15ClO
Molecular Weight:
234.7213
IUPAC Name:
2-(4-chlorophenyl)-6-methylhepta-2,5-dien-4-one
InChI:
InChI=1S/C14H15ClO/c1-10(2)8-14(16)9-11(3)12-4-6-13(15)7-5-12/h4-9H,1-3H3
InChI Key:
JYKZEZZCKVNXLF-UHFFFAOYSA-N
SMILES:
C/C(=C/C(=O)C=C(C)C)/c1ccc(cc1)Cl
Properties
Complexity:
303
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
234.081g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
234.723g/mol
Monoisotopic Mass:
234.081g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
4.7
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