basic_info |
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Product_Name: | 2,5-己酮可可碱 |
CAS: | 117570-53-3 |
中文同义词: | 2,5-己酮可可碱 ; 5,6-二甲基呫吨酮-4-乙酸 |
EnglishSynonyms: | (5,6-DIMETHYL-9-OXO-XANTHEN)-4-ACETIC ACID ; VADIMEZAN ; 5,6-MEXAA ; 5,6-DIMETHYL-9-OXO-9H-XANTHENE-4-ACETIC ACID ; ASA404 ; 5,6-DIMETHYLXANTHEONONE-4-ACETIC ACID ; DMXAA ; 5,6-DIMETHYLXANTHENONE-4-ACETIC ACID ; DMXAA (VADIMEZAN) ; (5,6-DIMETHYL-9-OXO-9H-XANTHEN-4-YL)-ACETIC ACID |
pro_mdlNumber: | MFCD00870555 |
pro_acceptors: | 4 |
pro_donors: | 1 |
pro_smile: | Cc1ccc2c(=O)c3cccc(c3oc2c1C)CC(=O)O |
InChi: | InChI=1S/C17H14O4/c1-9-6-7-13-15(20)12-5-3-4-11(8-14(18)19)17(12)21-16(13)10(9)2/h3-7H,8H2,1-2H3,(H,18,19) |
InChiKey: | InChIKey=XGOYIMQSIKSOBS-UHFFFAOYSA-N |
property |
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secure_info |
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secure_symbol: |
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secure_signal_word: | Warning |
secure_risk_stmt: | H302-H400 |
secure_cautionary_stmt: | P273 |
secure_damage_code: | Xn,N |
secure_risk_disclosure_stmt: | R:22-50/53 |
secure_security_stmt: | S:60-61 |
secure_wgk_germany: | 3 |
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