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16746-86-4 | 1-Hexene, 2,3-dimethyl-
CAS No: 16746-86-4 Catalog No: AG001XE4 MDL No:MFCD00039950
Product Description
Catalog Number:
AG001XE4
Chemical Name:
1-Hexene, 2,3-dimethyl-
CAS Number:
16746-86-4
Molecular Formula:
C8H16
Molecular Weight:
112.2126
MDL Number:
MFCD00039950
IUPAC Name:
2,3-dimethylhex-1-ene
InChI:
InChI=1S/C8H16/c1-5-6-8(4)7(2)3/h8H,2,5-6H2,1,3-4H3
InChI Key:
LVLXQRZPKUFJJQ-UHFFFAOYSA-N
SMILES:
CCCC(C(=C)C)C
EC Number:
240-805-6
Properties
Complexity:
72.1
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:
3.9
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