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828263-24-7 | 3-Hexadecen-2-one, 16-phenyl-, (3E)-
CAS No: 828263-24-7 Catalog No: AG004XLJ MDL No:
Product Description
Catalog Number:
AG004XLJ
Chemical Name:
3-Hexadecen-2-one, 16-phenyl-, (3E)-
CAS Number:
828263-24-7
Molecular Formula:
C22H34O
Molecular Weight:
314.5048
IUPAC Name:
16-phenylhexadec-3-en-2-one
InChI:
InChI=1S/C22H34O/c1-21(23)17-13-10-8-6-4-2-3-5-7-9-11-14-18-22-19-15-12-16-20-22/h12-13,15-17,19-20H,2-11,14,18H2,1H3
InChI Key:
MRIJVCUMMLLFRJ-UHFFFAOYSA-N
SMILES:
CC(=O)/C=C/CCCCCCCCCCCCc1ccccc1
Properties
Complexity:
299
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
314.261g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
314.513g/mol
Monoisotopic Mass:
314.261g/mol
Rotatable Bond Count:
14
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
8
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