FU0
2-(furan-2-yl)ethyl hydrogen carbonate
Created: | 2014-03-05 |
Last modified: | 2014-04-30 |
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Chemical Details | |
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Formal Charge | 0 |
Atom Count | 19 |
Chiral Atom Count | 0 |
Bond Count | 19 |
Aromatic Bond Count | 5 |
Chemical Component Summary | |
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Name | 2-(furan-2-yl)ethyl hydrogen carbonate |
Systematic Name (OpenEye OEToolkits) | 2-(furan-2-yl)ethyl hydrogen carbonate |
Formula | C7 H8 O4 |
Molecular Weight | 156.136 |
Type | NON-POLYMER |
Chemical Descriptors | |||
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Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | O=C(OCCc1occc1)O |
SMILES | CACTVS | 3.385 | OC(=O)OCCc1occc1 |
SMILES | OpenEye OEToolkits | 1.7.6 | c1cc(oc1)CCOC(=O)O |
Canonical SMILES | CACTVS | 3.385 | OC(=O)OCCc1occc1 |
Canonical SMILES | OpenEye OEToolkits | 1.7.6 | c1cc(oc1)CCOC(=O)O |
InChI | InChI | 1.03 | InChI=1S/C7H8O4/c8-7(9)11-5-3-6-2-1-4-10-6/h1-2,4H,3,5H2,(H,8,9) |
InChIKey | InChI | 1.03 | SFUJACCQACPZEZ-UHFFFAOYSA-N |
Related Resource References
Resource Name | Reference |
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PubChem | 137349371 |