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101493-88-3 | 1-Dodecanone, 1-(2,5-dimethylphenyl)-
CAS No: 101493-88-3 Catalog No: AG0004MA MDL No:
Product Description
Catalog Number:
AG0004MA
Chemical Name:
1-Dodecanone, 1-(2,5-dimethylphenyl)-
CAS Number:
101493-88-3
Molecular Formula:
C20H32O
Molecular Weight:
288.4675
IUPAC Name:
1-(2,5-dimethylphenyl)dodecan-1-one
InChI:
InChI=1S/C20H32O/c1-4-5-6-7-8-9-10-11-12-13-20(21)19-16-17(2)14-15-18(19)3/h14-16H,4-13H2,1-3H3
InChI Key:
LAYJKDXVCRNLGE-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCCC(=O)c1cc(C)ccc1C
Properties
Complexity:
271
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
288.245g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
288.475g/mol
Monoisotopic Mass:
288.245g/mol
Rotatable Bond Count:
11
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
7.5
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