1NP
1-NAPHTHOL
Created: | 2008-11-21 |
Last modified: | 2021-03-01 |
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Chemical Details | |
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Formal Charge | 0 |
Atom Count | 19 |
Chiral Atom Count | 0 |
Bond Count | 20 |
Aromatic Bond Count | 11 |
Chemical Component Summary | |
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Name | 1-NAPHTHOL |
Synonyms | naphthalen-1-ol |
Systematic Name (OpenEye OEToolkits) | naphthalen-1-ol |
Formula | C10 H8 O |
Molecular Weight | 144.17 |
Type | NON-POLYMER |
Chemical Descriptors | |||
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Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | Oc2cccc1ccccc12 |
SMILES | CACTVS | 3.341 | Oc1cccc2ccccc12 |
SMILES | OpenEye OEToolkits | 1.5.0 | c1ccc2c(c1)cccc2O |
Canonical SMILES | CACTVS | 3.341 | Oc1cccc2ccccc12 |
Canonical SMILES | OpenEye OEToolkits | 1.5.0 | c1ccc2c(c1)cccc2O |
InChI | InChI | 1.03 | InChI=1S/C10H8O/c11-10-7-3-5-8-4-1-2-6-9(8)10/h1-7,11H |
InChIKey | InChI | 1.03 | KJCVRFUGPWSIIH-UHFFFAOYSA-N |
Related Resource References
Resource Name | Reference |
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PubChem | 7005 |
ChEMBL | CHEMBL122617 |
ChEBI | CHEBI:10319 |
CCDC/CSD | NAPHOL01, QOVHOZ, KEZWOE, GIXREK, COZZAT, QUQREA, QUQRIE, YUYFON, UKEDAR |
COD | 2203597 |