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763-12-2 | 3,5-Hexadiyn-2-ol, 2-methyl-
CAS No: 763-12-2 Catalog No: AG005E6X MDL No:
Product Description
Catalog Number:
AG005E6X
Chemical Name:
3,5-Hexadiyn-2-ol, 2-methyl-
CAS Number:
763-12-2
Molecular Formula:
C7H8O
Molecular Weight:
108.1378
IUPAC Name:
2-methylhexa-3,5-diyn-2-ol
InChI:
InChI=1S/C7H8O/c1-4-5-6-7(2,3)8/h1,8H,2-3H3
InChI Key:
FZKZKWGVQDXGQY-UHFFFAOYSA-N
SMILES:
C#CC#CC(O)(C)C
Properties
Complexity:
178
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
108.058g/mol
Formal Charge:
0
Heavy Atom Count:
8
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
108.14g/mol
Monoisotopic Mass:
108.058g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
20.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6
Literature
| Title | Journal |
|---|---|
| Molecular wires comprising pi-extended ethynyl- and butadiynyl-2,5-diphenyl-1,3,4-oxadiazole derivatives: synthesis, redox, structural, and optoelectronic properties. | Journal of the American Chemical Society 20060322 |
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