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Reference:
indigo
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Coordinates
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Reference:
Properties
Molecular Weight
88.11 g/mol
Heavy Atoms
6
Rings
1
Rotatable Bonds
0
HB acceptor/donor
2 / 0
Topo. Polar Surface Area
18.46 Ų
Mol Refractivity
21.64
clogP
0.03
Reference:
rdkit
Identifier
Query
C1COCCO1
Formula
C
4
H
8
O
2
Name
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SMILES
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InChI
InChI Key
Reference:
KHN2020
References
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C4H8O2