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89375-05-3 | 6-Undecyn-5-one, 4,10-dimethyl-
CAS No: 89375-05-3 Catalog No: AG003X73 MDL No:
Product Description
Catalog Number:
AG003X73
Chemical Name:
6-Undecyn-5-one, 4,10-dimethyl-
CAS Number:
89375-05-3
Molecular Formula:
C13H22O
Molecular Weight:
194.3132
IUPAC Name:
4,10-dimethylundec-6-yn-5-one
InChI:
InChI=1S/C13H22O/c1-5-8-12(4)13(14)10-7-6-9-11(2)3/h11-12H,5-6,8-9H2,1-4H3
InChI Key:
LLVQUNGIYOXZBQ-UHFFFAOYSA-N
SMILES:
CCCC(C(=O)C#CCCC(C)C)C
Properties
Complexity:
226
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
194.167g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
194.318g/mol
Monoisotopic Mass:
194.167g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
4.6
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