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Basic Information |
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Product Name: | 3,4-Dimethylbenzoic acid |
CAS: | 619-04-5 |
English Synonyms: | ZERENEX ZX-AB001655 ; PARAGOS 440018 ; RARECHEM AL BO 0330 ; LABOTEST-BB LT03333428 ; LABOTEST-BB LT01148418 ; O-XYLENE-4-CARBOXYLIC ACID ; ZERENEX ZX-IP007365 ; 3,4-DIMETHYLBENZOIC ACID ; BENZOIC ACID, 3,4-DIMETHYL- ; O-XYLYLIC ACID ; ASYM-O-XYLYLIC ACID |
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 |
Property |
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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 |
Safety information |
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WGK Germany: | 3 |
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