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102070-04-2 | 4-Nonyn-3-ol, 2,2-diethoxy-
CAS No: 102070-04-2 Catalog No: AG0006IC MDL No:
Product Description
Catalog Number:
AG0006IC
Chemical Name:
4-Nonyn-3-ol, 2,2-diethoxy-
CAS Number:
102070-04-2
Molecular Formula:
C13H24O3
Molecular Weight:
228.3279
IUPAC Name:
2,2-diethoxynon-4-yn-3-ol
InChI:
InChI=1S/C13H24O3/c1-5-8-9-10-11-12(14)13(4,15-6-2)16-7-3/h12,14H,5-9H2,1-4H3
InChI Key:
WUWGARVHQKFFTN-UHFFFAOYSA-N
SMILES:
CCCCC#CC(C(OCC)(OCC)C)O
Properties
Complexity:
230
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:
7
Topological Polar Surface Area:
38.7A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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