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125380-93-0 | 1,3-Dioxane, 2-ethynyl-
CAS No: 125380-93-0 Catalog No: AG000NLX MDL No:
Product Description
Catalog Number:
AG000NLX
Chemical Name:
1,3-Dioxane, 2-ethynyl-
CAS Number:
125380-93-0
Molecular Formula:
C6H8O2
Molecular Weight:
112.1265
IUPAC Name:
2-ethynyl-1,3-dioxane
InChI:
InChI=1S/C6H8O2/c1-2-6-7-4-3-5-8-6/h1,6H,3-5H2
InChI Key:
LIIVCHZQZKSUJP-UHFFFAOYSA-N
SMILES:
C#CC1OCCCO1
NSC Number:
378228
Properties
Complexity:
105
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
112.052g/mol
Formal Charge:
0
Heavy Atom Count:
8
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
112.128g/mol
Monoisotopic Mass:
112.052g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
18.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.3
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