basic_info |
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Product_Name: | 3-(4-ETHYLBENZOYL)PROPIONIC ACID |
CAS: | 49594-75-4 |
EnglishSynonyms: | 4-(4-ETHYLPHENYL)-4-OXOBUTANOIC ACID ; 3-(4-ETHYLBENZOYL)PROPIONIC ACID ; 4-(4-ETHYLPHENYL)-4-OXOBUTYRIC ACID |
pro_mdlNumber: | MFCD00173766 |
pro_acceptors: | 3 |
pro_donors: | 1 |
pro_smile: | CCc1ccc(cc1)C(=O)CCC(=O)O |
InChi: | InChI=1S/C12H14O3/c1-2-9-3-5-10(6-4-9)11(13)7-8-12(14)15/h3-6H,2,7-8H2,1H3,(H,14,15) |
InChiKey: | InChIKey=ZLHLIRYSBPOFQB-UHFFFAOYSA-N |
property |
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MeltingPoint: | 92-94 DEG C |
Comments: | HAZARD: R 36/37/38 HAZARD: S 26-37 IRRITANT TSCA: N UNSPSC: 12352106 |
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