MXE
2-METHOXYETHANOL
Created: | 2003-06-06 |
Last modified: | 2011-06-04 |
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Chemical Details | |
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Formal Charge | 0 |
Atom Count | 13 |
Chiral Atom Count | 0 |
Bond Count | 12 |
Aromatic Bond Count | 0 |
Chemical Component Summary | |
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Name | 2-METHOXYETHANOL |
Systematic Name (OpenEye OEToolkits) | 2-methoxyethanol |
Formula | C3 H8 O2 |
Molecular Weight | 76.094 |
Type | NON-POLYMER |
Chemical Descriptors | |||
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Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | OCCOC |
SMILES | CACTVS | 3.341 | COCCO |
SMILES | OpenEye OEToolkits | 1.5.0 | COCCO |
Canonical SMILES | CACTVS | 3.341 | COCCO |
Canonical SMILES | OpenEye OEToolkits | 1.5.0 | COCCO |
InChI | InChI | 1.03 | InChI=1S/C3H8O2/c1-5-3-2-4/h4H,2-3H2,1H3 |
InChIKey | InChI | 1.03 | XNWFRZJHXBZDAG-UHFFFAOYSA-N |
Drug Info: DrugBank
DrugBank ID | DB02806 |
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Name | 2-Methoxyethanol |
Groups | experimental |
Synonyms | 2-Methoxyethanol |
Categories |
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CAS number | 109-86-4 |
Related Resource References
Resource Name | Reference |
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PubChem | 8019 |
ChEMBL | CHEMBL444144 |
ChEBI | CHEBI:53449, CHEBI:46790 |
CCDC/CSD | ARAXUM, JOZCAC, VIXHEP, HERCEN, ADOXAS, YOQFER |