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CAS No.: | 93942-52-0 |
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Name: | [2-(2,5-dimethoxyphenyl)-1-methyl-2-oxoethylidene]hydroxyammonium chloride |
Molecular Structure: | |
Formula: | C11H14ClNO4 |
Molecular Weight: | 259.68616 |
Synonyms: | 1,2-Propanedione,1-(2,5-dimethoxyphenyl)-, 2-oxime, hydrochloride (9CI); |
EINECS: | 300-605-2 |
PSA: | 69.73000 |
LogP: | -3.17880 |
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The 1,2-Propanedione,1-(2,5-dimethoxyphenyl)-, 2-oxime, hydrochloride (1:1), with the CAS registry number 93942-52-0, is also known as (2-(2,5-Dimethoxyphenyl)-1-methyl-2-oxoethylidene)hydroxyammonium chloride. Its EINECS registry number is 300-605-2. This chemical's molecular formula is C11H14ClNO4 and molecular weight is 259.68616. Its systematic name is called [2-(2,5-dimethoxyphenyl)-1-methyl-2-oxo-ethylidene]-hydroxy-ammonium chloride.
Physical properties of 1,2-Propanedione,1-(2,5-dimethoxyphenyl)-, 2-oxime, hydrochloride (1:1): (1)#H bond acceptors: 5; (2)#H bond donors: 2; (3)#Freely Rotating Bonds: 5; (4)Polar Surface Area: 69.73 Å2.
You can still convert the following datas into molecular structure:
(1)SMILES: [Cl-].COc1ccc(cc1C(=O)C(C)=[NH+]O)OC
(2)InChI: InChI=1/C11H13NO4.ClH/c1-7(12-14)11(13)9-6-8(15-2)4-5-10(9)16-3;/h4-6,14H,1-3H3;1H
(3)InChIKey: GUYVLRJKTCFDTL-UHFFFAOYAY