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141-10-6 | 3,5,9-Undecatrien-2-one, 6,10-dimethyl-
CAS No: 141-10-6 Catalog No: AG001FPX MDL No:
Product Description
Catalog Number:
AG001FPX
Chemical Name:
3,5,9-Undecatrien-2-one, 6,10-dimethyl-
CAS Number:
141-10-6
Molecular Formula:
C13H20O
Molecular Weight:
192.2973
IUPAC Name:
(3E,5E)-6,10-dimethylundeca-3,5,9-trien-2-one
InChI:
InChI=1S/C13H20O/c1-11(2)7-5-8-12(3)9-6-10-13(4)14/h6-7,9-10H,5,8H2,1-4H3/b10-6+,12-9+
InChI Key:
JXJIQCXXJGRKRJ-KOOBJXAQSA-N
SMILES:
CC(=CC=CC(=O)C)CCC=C(C)C
EC Number:
205-457-1
UNII:
Z6K5D761AV
FEMA Number:
4299
Properties
Complexity:
263
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
2
Exact Mass:
192.151g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
192.302g/mol
Monoisotopic Mass:
192.151g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9
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