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825629-36-5 | 3-Hexacosanone, 1-phenyl-
CAS No: 825629-36-5 Catalog No: AG004YJG MDL No:
Product Description
Catalog Number:
AG004YJG
Chemical Name:
3-Hexacosanone, 1-phenyl-
CAS Number:
825629-36-5
Molecular Formula:
C32H56O
Molecular Weight:
456.7864
IUPAC Name:
1-phenylhexacosan-3-one
InChI:
InChI=1S/C32H56O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-25-28-32(33)30-29-31-26-23-22-24-27-31/h22-24,26-27H,2-21,25,28-30H2,1H3
InChI Key:
ANYUPKLMYFOTRT-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCCCCCCCCCCCCCCC(=O)CCc1ccccc1
Properties
Complexity:
395
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
456.433g/mol
Formal Charge:
0
Heavy Atom Count:
33
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
456.799g/mol
Monoisotopic Mass:
456.433g/mol
Rotatable Bond Count:
25
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
13.5
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