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113426-22-5 | 2-Octene, 3-methyl-
CAS No: 113426-22-5 Catalog No: AG0008K6 MDL No:
Product Description
Catalog Number:
AG0008K6
Chemical Name:
2-Octene, 3-methyl-
CAS Number:
113426-22-5
Molecular Formula:
C9H18
Molecular Weight:
126.2392
IUPAC Name:
3-methyloct-2-ene
InChI:
InChI=1S/C9H18/c1-4-6-7-8-9(3)5-2/h5H,4,6-8H2,1-3H3
InChI Key:
VOKPUAYTTWEUPZ-UHFFFAOYSA-N
SMILES:
CCCCCC(=CC)C
Properties
Complexity:
80
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
126.141g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
126.243g/mol
Monoisotopic Mass:
126.141g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
4.3
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