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| Product Name: | 3,4-Dimethylbenzoic acid |
| CAS: | 619-04-5 |
| English Synonyms: | ZERENEX ZX-AB001655 ; 3,4-DIMETHYLBENZOIC ACID ; ASYM-O-XYLYLIC ACID ; O-XYLENE-4-CARBOXYLIC ACID ; O-XYLYLIC ACID ; BENZOIC ACID, 3,4-DIMETHYL- ; LABOTEST-BB LT03333428 ; PARAGOS 440018 ; LABOTEST-BB LT01148418 ; ZERENEX ZX-IP007365 ; RARECHEM AL BO 0330 |
| MDL Number.: | MFCD00002524 |
| H bond acceptor: | 2 |
| H bond donor: | 1 |
| Smile: | CC=1C=C(C(=O)O)C=CC1C |
| InChi: | InChI=1S/C9H10O2/c1-6-3-4-8(9(10)11)5-7(6)2/h3-5H,1-2H3,(H,10,11) |
| InChiKey: | InChIKey=OPVAJFQBSDUNQA-UHFFFAOYSA-N |
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| Melting Point: | 163-165 DEG C(LIT) |
| Comments: | OTHER NOTES: TANDEM MASS SPECTROMETRY DATA INDEPENDENTLY GENERATED BY SCRIPPS CENTER FOR METABOLOMICS IS AVAILABLE TO VIEW OR DOWNLOAD IN PDF. D149403.PDF TESTED METABOLITES ARE FEATURED ON SCRIPPS CENTER FOR METABOLOMICS METLIN METABOLITE DATABASE. TO LEARN MORE, VISIT SIGMA.COM/METLIN RTECS: DG8734020 UNSPSC: 12352100 WGK: 3 |
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| WGK Germany: | 3 |
* If the product has intellectual property rights, a license granted is must or contact us.