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16468-05-6 | 1,4-Dioxane, hydrate (1:?)
CAS No: 16468-05-6 Catalog No: AG001V1H MDL No:
Product Description
Catalog Number:
AG001V1H
Chemical Name:
1,4-Dioxane, hydrate (1:?)
CAS Number:
16468-05-6
Molecular Formula:
C4H10O3
Molecular Weight:
106.1204
IUPAC Name:
1,4-dioxane;hydrate
InChI:
InChI=1S/C4H8O2.H2O/c1-2-6-4-3-5-1;/h1-4H2;1H2
InChI Key:
RNHDAKUGFHSZEV-UHFFFAOYSA-N
SMILES:
O1CCOCC1.O
Properties
Complexity:
26.5
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
106.063g/mol
Formal Charge:
0
Heavy Atom Count:
7
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
106.121g/mol
Monoisotopic Mass:
106.063g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
19.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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