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860116-58-1 | 2-Heptene, 2,4-dimethyl-
CAS No: 860116-58-1 Catalog No: AG004Q2B MDL No:
Product Description
Catalog Number:
AG004Q2B
Chemical Name:
2-Heptene, 2,4-dimethyl-
CAS Number:
860116-58-1
Molecular Formula:
C9H18
Molecular Weight:
126.2392
IUPAC Name:
2,4-dimethylhept-2-ene
InChI:
InChI=1S/C9H18/c1-5-6-9(4)7-8(2)3/h7,9H,5-6H2,1-4H3
InChI Key:
LJCMMOJGGBTOFK-UHFFFAOYSA-N
SMILES:
CCCC(C=C(C)C)C
Properties
Complexity:
86.2
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:
3
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
4.1
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