KEGG   COMPOUND: C14440
Entry
C14440                      Compound                               
Name
1,4-Dioxane;
p-Dioxane
Formula
C4H8O2
Exact mass
88.0524
Mol weight
88.11
Structure
Other DBs
CAS: 123-91-1
PubChem: 17395440
ChEBI: 47032
PDB-CCD: DIO[PDBj]
NIKKAJI: J2.502J
LinkDB
KCF data

ATOM        6
            1   C1x C    27.6499  -16.2399
            2   C1x C    27.6499  -17.6399
            3   O2x O    28.8623  -18.3399
            4   C1x C    30.0748  -17.6399
            5   C1x C    30.0748  -16.2399
            6   O2x O    28.8623  -15.5399
BOND        6
            1     1   2 1
            2     2   3 1
            3     3   4 1
            4     4   5 1
            5     5   6 1
            6     1   6 1

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