KEGG   COMPOUND: C14273Help
Entry
C14273                      Compound                               

Name
1,2-Octanediol;
1,2-Dihydroxyoctane
Formula
C8H18O2
Exact mass
146.1307
Mol weight
146.2273
Structure
Mol fileKCF fileDB search
Other DBs
CAS: 1117-86-8
PubChem: 17395273
ChEBI: 34056
ChEMBL: CHEMBL3186864
LIPIDMAPS: LMFA05000089
NIKKAJI: J103.154F
LinkDB All DBs
KCF data Show

ATOM        10
            1   C1c C    30.4463  -19.1573
            2   C1b C    29.1829  -18.4554
            3   C1b C    31.6395  -18.4554
            4   O1a O    30.4463  -20.5610
            5   C1b C    27.9898  -19.1573
            6   O1a O    32.8327  -19.1573
            7   C1b C    26.7966  -18.4554
            8   C1b C    25.5332  -19.1573
            9   C1b C    24.3401  -18.4554
            10  C1a C    23.1469  -19.1573
BOND        9
            1     1   2 1
            2     1   3 1
            3     1   4 1
            4     2   5 1
            5     3   6 1
            6     5   7 1
            7     7   8 1
            8     8   9 1
            9     9  10 1

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