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17948-58-2 | 5-Undecen-2-one, 6,10-dimethyl-, (5E)-
CAS No: 17948-58-2 Catalog No: AG002714 MDL No:
Product Description
Catalog Number:
AG002714
Chemical Name:
5-Undecen-2-one, 6,10-dimethyl-, (5E)-
CAS Number:
17948-58-2
Molecular Formula:
C13H24O
Molecular Weight:
196.3291
IUPAC Name:
6,10-dimethylundec-5-en-2-one
InChI:
InChI=1S/C13H24O/c1-11(2)7-5-8-12(3)9-6-10-13(4)14/h9,11H,5-8,10H2,1-4H3
InChI Key:
COFFUYZBRGBAQS-UHFFFAOYSA-N
SMILES:
CC(CCC/C(=C/CCC(=O)C)/C)C
Properties
Complexity:
189
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
196.183g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
196.334g/mol
Monoisotopic Mass:
196.183g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
4.2
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