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1573-66-6 | 1-Hexen-5-yn-3-ol
CAS No: 1573-66-6 Catalog No: AG001PD7 MDL No:
Product Description
Catalog Number:
AG001PD7
Chemical Name:
1-Hexen-5-yn-3-ol
CAS Number:
1573-66-6
Molecular Formula:
C6H8O
Molecular Weight:
96.1271
IUPAC Name:
hex-1-en-5-yn-3-ol
InChI:
InChI=1S/C6H8O/c1-3-5-6(7)4-2/h1,4,6-7H,2,5H2
InChI Key:
KRJCNVHJONGZRE-UHFFFAOYSA-N
SMILES:
OC(C=C)CC#C
Properties
Complexity:
96
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
96.058g/mol
Formal Charge:
0
Heavy Atom Count:
7
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
96.129g/mol
Monoisotopic Mass:
96.058g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
20.2A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
Literature
| Title | Journal |
|---|---|
| Gold-catalyzed tandem C-C and C-O bond formation: a highly diastereoselective formation of cyclohex-4-ene-1,2-diol derivatives. | Organic letters 20070830 |
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