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125509-67-3 | 1-Hexadecanone, 1-(1-pyrenyl)-
CAS No: 125509-67-3 Catalog No: AG000NR2 MDL No:
Product Description
Catalog Number:
AG000NR2
Chemical Name:
1-Hexadecanone, 1-(1-pyrenyl)-
CAS Number:
125509-67-3
Molecular Formula:
C32H40O
Molecular Weight:
440.6594
IUPAC Name:
1-pyren-1-ylhexadecan-1-one
InChI:
InChI=1S/C32H40O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-18-30(33)28-23-21-27-20-19-25-16-15-17-26-22-24-29(28)32(27)31(25)26/h15-17,19-24H,2-14,18H2,1H3
InChI Key:
WPVAUFPEWASKAR-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCCCCCCC(=O)c1ccc2c3c1ccc1c3c(cc2)ccc1
Properties
Complexity:
567
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
440.308g/mol
Formal Charge:
0
Heavy Atom Count:
33
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
440.671g/mol
Monoisotopic Mass:
440.308g/mol
Rotatable Bond Count:
15
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
12
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