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18350-50-0 | 2-Nonyn-4-ol, 1,1-diethoxy-
CAS No: 18350-50-0 Catalog No: AG0027MY MDL No:
Product Description
Catalog Number:
AG0027MY
Chemical Name:
2-Nonyn-4-ol, 1,1-diethoxy-
CAS Number:
18350-50-0
Molecular Formula:
C13H24O3
Molecular Weight:
228.3279
IUPAC Name:
1,1-diethoxynon-2-yn-4-ol
InChI:
InChI=1S/C13H24O3/c1-4-7-8-9-12(14)10-11-13(15-5-2)16-6-3/h12-14H,4-9H2,1-3H3
InChI Key:
HKKTYOXRKSVGMF-UHFFFAOYSA-N
SMILES:
CCCCCC(C#CC(OCC)OCC)O
Properties
Complexity:
208
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
228.173g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
228.332g/mol
Monoisotopic Mass:
228.173g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
38.7A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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