basic_info |
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| Product_Name： | 3-CYANO-5-(METHOXYCARBONYL)BENZOIC ACID |
| CAS： | 126739-90-0 |
| EnglishSynonyms： | ABLOCK AB-12-8400 ; 3-CYANO-5-(METHOXYCARBONYL)BENZOIC ACID ; 5-CYANO-ISOPHTHALIC ACID MONOMETHYL ESTER ; MONO-METHYL 5-CYANOISOPHTHALATE |
| pro_mdlNumber： | MFCD08458980 |
| pro_acceptors： | 5 |
| pro_donors： | 1 |
| pro_smile： | COC(=O)c1cc(cc(c1)C(=O)O)C#N |
| InChi： | InChI=1S/C10H7NO4/c1-15-10(14)8-3-6(5-11)2-7(4-8)9(12)13/h2-4H,1H3,(H,12,13) |
| InChiKey： | InChIKey=WHSHUFHWIYUPNQ-UHFFFAOYSA-N |
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