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122077-89-8 | 2-Nonyn-4-one, 1,1-diethoxy-
CAS No: 122077-89-8 Catalog No: AG0016Q1 MDL No:
Product Description
Catalog Number:
AG0016Q1
Chemical Name:
2-Nonyn-4-one, 1,1-diethoxy-
CAS Number:
122077-89-8
Molecular Formula:
C13H22O3
Molecular Weight:
226.3120
IUPAC Name:
1,1-diethoxynon-2-yn-4-one
InChI:
InChI=1S/C13H22O3/c1-4-7-8-9-12(14)10-11-13(15-5-2)16-6-3/h13H,4-9H2,1-3H3
InChI Key:
AMDZDNYUQGTRPQ-UHFFFAOYSA-N
SMILES:
CCCCCC(=O)C#CC(OCC)OCC
Properties
Complexity:
240
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
226.157g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
226.316g/mol
Monoisotopic Mass:
226.157g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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