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13877-91-3 | 1,3,6-Octatriene, 3,7-dimethyl-
CAS No: 13877-91-3 Catalog No: AG0019J7 MDL No:MFCD00026437
Product Description
Catalog Number:
AG0019J7
Chemical Name:
1,3,6-Octatriene, 3,7-dimethyl-
CAS Number:
13877-91-3
Molecular Formula:
C10H16
Molecular Weight:
136.2340
MDL Number:
MFCD00026437
IUPAC Name:
(3E)-3,7-dimethylocta-1,3,6-triene
InChI:
InChI=1S/C10H16/c1-5-10(4)8-6-7-9(2)3/h5,7-8H,1,6H2,2-4H3/b10-8+
InChI Key:
IHPKGUQCSIINRJ-CSKARUKUSA-N
SMILES:
C=CC(=CCC=C(C)C)C
UNII:
38BQ4UYY06
FEMA Number:
3539
Properties
Complexity:
155
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
136.125g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
136.238g/mol
Monoisotopic Mass:
136.125g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.3
Literature
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