3-Hexene-1,6-diol, (3E)-


Chemical Name: 3-Hexene-1,6-diol, (3E)-
CAS Number: 71655-17-9
Product Number: AG005QS2(AGN-PC-0OH0EW)
Synonyms:
MDL No:
Molecular Formula: C6H12O2
Molecular Weight: 116.1583

Identification/Properties


Computed Properties
Molecular Weight:
116.16g/mol
XLogP3:
0.1
Hydrogen Bond Donor Count:
2
Hydrogen Bond Acceptor Count:
2
Rotatable Bond Count:
4
Exact Mass:
116.084g/mol
Monoisotopic Mass:
116.084g/mol
Topological Polar Surface Area:
40.5A^2
Heavy Atom Count:
8
Formal Charge:
0
Complexity:
51.5
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

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NMR Spectrum


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