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Home > Other Heterocycles > 70097-74-4
70097-74-4 | 1,4-Dioxaspiro[4.5]decan-8-ol, 8-ethynyl-
CAS No: 70097-74-4 Catalog No: AG005LK2 MDL No:
Product Description
Catalog Number:
AG005LK2
Chemical Name:
1,4-Dioxaspiro[4.5]decan-8-ol, 8-ethynyl-
CAS Number:
70097-74-4
Molecular Formula:
C10H14O3
Molecular Weight:
182.2164
IUPAC Name:
8-ethynyl-1,4-dioxaspiro[4.5]decan-8-ol
InChI:
InChI=1S/C10H14O3/c1-2-9(11)3-5-10(6-4-9)12-7-8-13-10/h1,11H,3-8H2
InChI Key:
GBKHOSZWZAISIU-UHFFFAOYSA-N
SMILES:
C#CC1(O)CCC2(CC1)OCCO2
Properties
Complexity:
234
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
182.094g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
182.219g/mol
Monoisotopic Mass:
182.094g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
38.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.2
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