4-(Methylsulfonyl)phenyl-acetic acid
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Basic information
GHS | xi |
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Exact Mass | 214.02998 |
Smiles | CS(C1C=CC(CC(O)=O)=CC=1)(=O)=O |
别名 | TIMTEC-BB SBB009970;4-(Methylsulfonyl)ph;4-MESYLPHENYLACETIC ACID;4-Mesylbenzeneacetic acid;4-Methylsulfonylphenylacetic;Etoricoxib Related CoMpound B;4-METHYLSULPHONYLPHENYLACETIC ACID;4-methylsulfonyl benzeneacetic acid;4-(METHYLSULFONYL)PHENYLACETIC ACID;4-(METHANESULFONYL)PHENYLACETIC ACID;对甲砜基苯乙酸;4-甲砜基苯乙酸;4-甲烷磺酰苯乙酸;4-甲磺酰基苯乙酸;依托考昔相关物质B;4-甲基磺酰基苯乙酸;4-甲磺酰基苯乙酸 ;4-(甲烷磺酸)苯乙酸;4-甲烷磺酰基 苯乙酸;2-(4-甲砜基苯基)乙酸 |
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Melting Point | 136-140 °C(lit.) |
Canonical Smiles | CS(=O)(=O)C1C=CC(CC(O)=O)=CC=1 |
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Inchi | InChI=1S/C9H10O4S/c1-14(12,13)8-4-2-7(3-5-8)6-9(10)11/h2-5H,6H2,1H3,(H,10,11) |
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InchiKey | HGGWOSYNRVOQJH-UHFFFAOYSA-N |
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Security information
Risk Statements | 36 |
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Signal Word | |
Water Solubility | slight |
Dangerous Goods | |
Safety Statements | 26 |
Storage Temp. | 贮存在阴凉处。使容器保持密闭,储存在干燥通风处。 |
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