KEGG   DRUG: Ethyl acetate
Entry
D02319                      Drug                                   
Name
Ethyl acetate (NF)
Formula
C4H8O2
Exact mass
88.0524
Mol weight
88.11
Structure
Simcomp
Remark
Same as: C00849
Efficacy
Pharmaceutic aid (solvent)
Other DBs
CAS: 141-78-6
PubChem: 7849378
ChEBI: 27750
PDB-CCD: EEE[PDBj]
LigandBox: D02319
NIKKAJI: J2.952A
LinkDB
KCF data

ATOM        6
            1   C1a C    19.7703  -17.2285
            2   C1b C    20.9012  -16.5159
            3   O7a O    22.1268  -17.2213
            4   C7a C    23.3523  -16.5089
            5   C1a C    24.5777  -17.2143
            6   O6a O    23.3493  -15.0911
BOND        5
            1     1   2 1
            2     3   4 1
            3     4   5 1
            4     2   3 1
            5     4   6 2

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