KEGG   COMPOUND: C14689
Entry
C14689                      Compound                               
Name
Diethylene glycol;
2,2'-Oxydiethanol;
1,5-Dihydroxy-3-oxapentane
Formula
C4H10O3
Exact mass
106.0630
Mol weight
106.12
Structure
Other DBs
CAS: 111-46-6
PubChem: 17395688
ChEBI: 46807
PDB-CCD: PEG[PDBj]
NIKKAJI: J5.110A
LinkDB
KCF data

ATOM        7
            1   O1a O    21.5837  -19.6309
            2   C1b C    22.8145  -20.3415
            3   C1b C    24.0280  -19.6407
            4   O2a O    25.2334  -20.3365
            5   C1b C    26.4426  -19.6381
            6   C1b C    27.6500  -20.3352
            7   O1a O    28.8581  -19.6375
BOND        6
            1     1   2 1
            2     2   3 1
            3     3   4 1
            4     4   5 1
            5     5   6 1
            6     6   7 1

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