01F

ethyl hydrogen carbonate

Created:	2011-02-22
Last modified:	2011-06-04

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2 entries where 01F is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	12
Chiral Atom Count	0
Bond Count	11
Aromatic Bond Count	0

2D diagram of 01F

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Chemical Component Summary
Name	ethyl hydrogen carbonate
Systematic Name (OpenEye OEToolkits)	ethyl hydrogen carbonate
Formula	C₃ H₆ O₃
Molecular Weight	90.078
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	O=C(O)OCC
SMILES	CACTVS	3.370	CCOC(O)=O
SMILES	OpenEye OEToolkits	1.7.0	CCOC(=O)O
Canonical SMILES	CACTVS	3.370	CCOC(O)=O
Canonical SMILES	OpenEye OEToolkits	1.7.0	CCOC(=O)O
InChI	InChI	1.03	InChI=1S/C3H6O3/c1-2-6-3(4)5/h2H2,1H3,(H,4,5)
InChIKey	InChI	1.03	CQDGTJPVBWZJAZ-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	105349
ChEBI	CHEBI:50849
CCDC/CSD	EDUXEI, EDUYUZ

RCSB PDB Core Operations are funded by the U.S. National Science Foundation (DBI-2321666), the US Department of Energy (DE-SC0019749), and the National Cancer Institute, National Institute of Allergy and Infectious Diseases, and National Institute of General Medical Sciences of the National Institutes of Health under grant R01GM157729.