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101183-81-7 | 2-Propen-1-one, 1-(1-cyclohexen-1-yl)-3-(4-methylphenyl)-, (2E)-
CAS No: 101183-81-7 Catalog No: AG0003WG MDL No:
Product Description
Catalog Number:
AG0003WG
Chemical Name:
2-Propen-1-one, 1-(1-cyclohexen-1-yl)-3-(4-methylphenyl)-, (2E)-
CAS Number:
101183-81-7
Molecular Formula:
C16H18O
Molecular Weight:
226.3135
IUPAC Name:
1-(cyclohexen-1-yl)-3-(4-methylphenyl)prop-2-en-1-one
InChI:
InChI=1S/C16H18O/c1-13-7-9-14(10-8-13)11-12-16(17)15-5-3-2-4-6-15/h5,7-12H,2-4,6H2,1H3
InChI Key:
DWPDPJOFBYKWFO-UHFFFAOYSA-N
SMILES:
Cc1ccc(cc1)/C=C/C(=O)C1=CCCCC1
Properties
Complexity:
316
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
226.136g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
226.319g/mol
Monoisotopic Mass:
226.136g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
4.3
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