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14092-35-4 | 2-Hexyne-1,4-diol
CAS No: 14092-35-4 Catalog No: AG001FN9 MDL No:
Product Description
Catalog Number:
AG001FN9
Chemical Name:
2-Hexyne-1,4-diol
CAS Number:
14092-35-4
Molecular Formula:
C6H10O2
Molecular Weight:
114.1424
IUPAC Name:
hex-2-yne-1,4-diol
InChI:
InChI=1S/C6H10O2/c1-2-6(8)4-3-5-7/h6-8H,2,5H2,1H3
InChI Key:
SBFXIKAUMNVVCT-UHFFFAOYSA-N
SMILES:
CCC(C#CCO)O
Properties
Complexity:
106
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
114.068g/mol
Formal Charge:
0
Heavy Atom Count:
8
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
114.144g/mol
Monoisotopic Mass:
114.068g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
40.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.2
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