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25938-06-1 | 3-Pentyn-2-ol, 5,5-diethoxy-2-methyl-
CAS No: 25938-06-1 Catalog No: AG002R4J MDL No:
Product Description
Catalog Number:
AG002R4J
Chemical Name:
3-Pentyn-2-ol, 5,5-diethoxy-2-methyl-
CAS Number:
25938-06-1
Molecular Formula:
C10H18O3
Molecular Weight:
186.2481
IUPAC Name:
5,5-diethoxy-2-methylpent-3-yn-2-ol
InChI:
InChI=1S/C10H18O3/c1-5-12-9(13-6-2)7-8-10(3,4)11/h9,11H,5-6H2,1-4H3
InChI Key:
OQPUIHZBDCEFEH-UHFFFAOYSA-N
SMILES:
CCOC(C#CC(O)(C)C)OCC
Properties
Complexity:
191
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
186.126g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
186.251g/mol
Monoisotopic Mass:
186.126g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
38.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
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