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101493-89-4 | 1-Hexadecanone, 1-(2,5-dimethylphenyl)-
CAS No: 101493-89-4 Catalog No: AG0004M9 MDL No:
Product Description
Catalog Number:
AG0004M9
Chemical Name:
1-Hexadecanone, 1-(2,5-dimethylphenyl)-
CAS Number:
101493-89-4
Molecular Formula:
C24H40O
Molecular Weight:
344.5738
IUPAC Name:
1-(2,5-dimethylphenyl)hexadecan-1-one
InChI:
InChI=1S/C24H40O/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-24(25)23-20-21(2)18-19-22(23)3/h18-20H,4-17H2,1-3H3
InChI Key:
JRPNDJAIRVFPPQ-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCCCCCCC(=O)c1cc(C)ccc1C
Properties
Complexity:
322
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
344.308g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
344.583g/mol
Monoisotopic Mass:
344.308g/mol
Rotatable Bond Count:
15
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
9.7
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