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29366-35-6 | 4-Dodecanone, 11-methyl-
CAS No: 29366-35-6 Catalog No: AG002Y5P MDL No:
Product Description
Catalog Number:
AG002Y5P
Chemical Name:
4-Dodecanone, 11-methyl-
CAS Number:
29366-35-6
Molecular Formula:
C13H26O
Molecular Weight:
198.3449
IUPAC Name:
11-methyldodecan-4-one
InChI:
InChI=1S/C13H26O/c1-4-9-13(14)11-8-6-5-7-10-12(2)3/h12H,4-11H2,1-3H3
InChI Key:
HKKPNGKIYAETLS-UHFFFAOYSA-N
SMILES:
CCCC(=O)CCCCCCC(C)C
Properties
Complexity:
138
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
198.198g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
198.35g/mol
Monoisotopic Mass:
198.198g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.6
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