KEGG   COMPOUND: C14440Help
Entry
C14440                      Compound                               

Name
1,4-Dioxane;
p-Dioxane
Formula
C4H8O2
Exact mass
88.0524
Mol weight
88.1051
Structure
Mol fileKCF fileDB search
Brite
Carcinogens [BR:br08008]
 Group 2B: Possibly carcinogenic to humans
  Compounds
   C14440  1,4-Dioxane
BRITE hierarchy
Other DBs
CAS: 123-91-1
PubChem: 17395440
ChEBI: 47032
ChEMBL: CHEMBL453716
PDB-CCD: DIO[PDBj]
NIKKAJI: J2.502J
KCF data Show

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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Ontology (1)   
   KEGG BRITE (1)   
Drug (1)   
   CHEMBL (1)   
Chemical substance (6)   
   PubChem (1)   
   ChEBI (1)   
   HSDB (1)   
   MASSBANK (1)   
   NIKKAJI (1)   
   PDB-CCD (1)   
All databases (8)   

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