KEGG   COMPOUND: C20335
Entry
C20335                      Compound                               
Name
1,3-Butanediol;
1,3-Butylene glycol
Formula
C4H10O2
Exact mass
90.0681
Mol weight
90.121
Structure
Remark
Same as: D10695
Other DBs
CAS: 107-88-0
PubChem: 163312073
LinkDB
KCF data

ATOM        6
            1   O1a O    13.6500  -13.0200
            2   C1b C    12.4600  -13.7200
            3   C1b C    11.2700  -13.0200
            4   C1c C    10.0800  -13.7200
            5   C1a C     8.8900  -13.0200
            6   O1a O    10.0800  -15.1200
BOND        5
            1     1   2 1
            2     2   3 1
            3     3   4 1
            4     4   5 1
            5     4   6 1

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