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113809-03-3 | 1-Dodecanone, 1-(3-methylphenyl)-
CAS No: 113809-03-3 Catalog No: AG0009QN MDL No:
Product Description
Catalog Number:
AG0009QN
Chemical Name:
1-Dodecanone, 1-(3-methylphenyl)-
CAS Number:
113809-03-3
Molecular Formula:
C19H30O
Molecular Weight:
274.4409
IUPAC Name:
1-(3-methylphenyl)dodecan-1-one
InChI:
InChI=1S/C19H30O/c1-3-4-5-6-7-8-9-10-11-15-19(20)18-14-12-13-17(2)16-18/h12-14,16H,3-11,15H2,1-2H3
InChI Key:
YQMXDRCQMZPXTG-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCCC(=O)c1cccc(c1)C
Properties
Complexity:
246
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
274.23g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
274.448g/mol
Monoisotopic Mass:
274.23g/mol
Rotatable Bond Count:
11
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
7.1
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