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88692-63-1 | Ethanol, 2-[(1,1-diethyl-2-propynyl)oxy]-
CAS No: 88692-63-1 Catalog No: AG0046ML MDL No:
Product Description
Catalog Number:
AG0046ML
Chemical Name:
Ethanol, 2-[(1,1-diethyl-2-propynyl)oxy]-
CAS Number:
88692-63-1
Molecular Formula:
C9H16O2
Molecular Weight:
156.2221
IUPAC Name:
2-(3-ethylpent-1-yn-3-yloxy)ethanol
InChI:
InChI=1S/C9H16O2/c1-4-9(5-2,6-3)11-8-7-10/h1,10H,5-8H2,2-3H3
InChI Key:
FKLDZQOKKGVMTL-UHFFFAOYSA-N
SMILES:
OCCOC(C#C)(CC)CC
Properties
Complexity:
139
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
156.115g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
156.225g/mol
Monoisotopic Mass:
156.115g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
29.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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