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16789-51-8 | 3-Hexene, 3-ethyl-
CAS No: 16789-51-8 Catalog No: AG001XOJ MDL No:
Product Description
Catalog Number:
AG001XOJ
Chemical Name:
3-Hexene, 3-ethyl-
CAS Number:
16789-51-8
Molecular Formula:
C8H16
Molecular Weight:
112.2126
IUPAC Name:
3-ethylhex-3-ene
InChI:
InChI=1S/C8H16/c1-4-7-8(5-2)6-3/h7H,4-6H2,1-3H3
InChI Key:
AUJLDZJNMXNESO-UHFFFAOYSA-N
SMILES:
CCC=C(CC)CC
Properties
Complexity:
64.1
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
112.125g/mol
Formal Charge:
0
Heavy Atom Count:
8
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
112.216g/mol
Monoisotopic Mass:
112.125g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
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