4EU
(2,4-dihydroxyphenyl)(4-hydroxyphenyl)methanone
Created: | 2015-03-11 |
Last modified: | 2016-03-09 |
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Chemical Details | |
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Formal Charge | 0 |
Atom Count | 27 |
Chiral Atom Count | 0 |
Bond Count | 28 |
Aromatic Bond Count | 12 |
Chemical Component Summary | |
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Name | (2,4-dihydroxyphenyl)(4-hydroxyphenyl)methanone |
Systematic Name (OpenEye OEToolkits) | [2,4-bis(oxidanyl)phenyl]-(4-hydroxyphenyl)methanone |
Formula | C13 H10 O4 |
Molecular Weight | 230.216 |
Type | NON-POLYMER |
Chemical Descriptors | |||
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Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | O=C(c1ccc(cc1O)O)c2ccc(cc2)O |
SMILES | CACTVS | 3.385 | Oc1ccc(cc1)C(=O)c2ccc(O)cc2O |
SMILES | OpenEye OEToolkits | 1.9.2 | c1cc(ccc1C(=O)c2ccc(cc2O)O)O |
Canonical SMILES | CACTVS | 3.385 | Oc1ccc(cc1)C(=O)c2ccc(O)cc2O |
Canonical SMILES | OpenEye OEToolkits | 1.9.2 | c1cc(ccc1C(=O)c2ccc(cc2O)O)O |
InChI | InChI | 1.03 | InChI=1S/C13H10O4/c14-9-3-1-8(2-4-9)13(17)11-6-5-10(15)7-12(11)16/h1-7,14-16H |
InChIKey | InChI | 1.03 | OKJFKPFBSPZTAH-UHFFFAOYSA-N |
Related Resource References
Resource Name | Reference |
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PubChem | 73852 |
ChEMBL | CHEMBL1905072 |