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81786-78-9 | 4-Octen-3-one,4,5,6,7,7-pentamethyl-
CAS No: 81786-78-9 Catalog No: AG005I1P MDL No:
Product Description
Catalog Number:
AG005I1P
Chemical Name:
4-Octen-3-one,4,5,6,7,7-pentamethyl-
CAS Number:
81786-78-9
Molecular Formula:
C13H24O
Molecular Weight:
196.3291
IUPAC Name:
(E)-4,5,6,7,7-pentamethyloct-4-en-3-one
InChI:
InChI=1S/C13H24O/c1-8-12(14)10(3)9(2)11(4)13(5,6)7/h11H,8H2,1-7H3/b10-9+
InChI Key:
RJMPLNRTACPFQN-MDZDMXLPSA-N
SMILES:
CCC(=O)C(=C(C(C(C)(C)C)C)C)C
EC Number:
279-826-0
Properties
Complexity:
241
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
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:
4
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
4.2
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