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1983-92-2 | 3,5,12,14-Hexadecanetetrone, 1,16-diphenyl-
CAS No: 1983-92-2 Catalog No: AG002BG0 MDL No:
Product Description
Catalog Number:
AG002BG0
Chemical Name:
3,5,12,14-Hexadecanetetrone, 1,16-diphenyl-
CAS Number:
1983-92-2
Molecular Formula:
C28H34O4
Molecular Weight:
434.5672
IUPAC Name:
1,16-diphenylhexadecane-3,5,12,14-tetrone
InChI:
InChI=1S/C28H34O4/c29-25(21-27(31)19-17-23-11-5-3-6-12-23)15-9-1-2-10-16-26(30)22-28(32)20-18-24-13-7-4-8-14-24/h3-8,11-14H,1-2,9-10,15-22H2
InChI Key:
OADODDOMEYIGEB-UHFFFAOYSA-N
SMILES:
O=C(CC(=O)CCc1ccccc1)CCCCCCC(=O)CC(=O)CCc1ccccc1
NSC Number:
89678
Properties
Complexity:
530
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
434.246g/mol
Formal Charge:
0
Heavy Atom Count:
32
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
434.576g/mol
Monoisotopic Mass:
434.246g/mol
Rotatable Bond Count:
17
Topological Polar Surface Area:
68.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.8
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