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3031-68-3 | Hexa-2,4-diyne-1,6-diol
CAS No: 3031-68-3 Catalog No: AG002ZML MDL No:MFCD00020619
Product Description
Catalog Number:
AG002ZML
Chemical Name:
Hexa-2,4-diyne-1,6-diol
CAS Number:
3031-68-3
Molecular Formula:
C6H6O2
Molecular Weight:
110.1106
MDL Number:
MFCD00020619
IUPAC Name:
hexa-2,4-diyne-1,6-diol
InChI:
InChI=1S/C6H6O2/c7-5-3-1-2-4-6-8/h7-8H,5-6H2
InChI Key:
JXMQYKBAZRDVTC-UHFFFAOYSA-N
SMILES:
OCC#CC#CCO
EC Number:
221-210-0
UNII:
37EGG3KXZ3
NSC Number:
11686
Properties
Complexity:
146
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
110.037g/mol
Formal Charge:
0
Heavy Atom Count:
8
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
110.112g/mol
Monoisotopic Mass:
110.037g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
40.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.7
Literature
| Title | Journal |
|---|---|
| Fabrication of a new type of organic-inorganic hybrid superlattice films combined with titanium oxide and polydiacetylene. | Nanoscale research letters 20120101 |
| Ultraviolet photoelectron spectroscopy study of the thermochromic phase transition in urethane-substituted polydiacetylenes. | The Journal of chemical physics 20070514 |
| Reactions of 2,4-hexadiyne-1,6-diol with [H2Os3(CO)9(PR3)] clusters. Cyclization of the diyne and reversible exchange of the phosphine ligands between different positions of the 'Os3C3' framework. | Dalton transactions (Cambridge, England : 2003) 20040607 |
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