Name: | 3-HYDROXY-4-METHOXYPHENYLACETIC ACID |
CAS: | 1131-94-8 |
Synonyms: | BENZENEACETIC ACID, 3-HYDROXY-4-METHOXY- ; HOMOISOVANILLIC ACID ; 3-HYDROXY-4-METHOXYPHENYLACETIC ACID ; 2-(3-HYDROXY-4-METHOXYPHENYL)ACETIC ACID |
MDL.: | MFCD00016829 |
H bond acceptor: | 4 |
H bond donor: | 2 |
Smile: | COc1ccc(cc1O)CC(=O)O |
InChi: | InChI=1S/C9H10O4/c1-13-8-3-2-6(4-7(8)10)5-9(11)12/h2-4,10H,5H2,1H3,(H,11,12) |
InChiKey: | InChIKey=BWXLCOBSWMQCGP-UHFFFAOYSA-N |
Property |
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Melting Point: | 127-132 DEG C/127-132 °C |
Comments: | OTHER NOTES: TANDEM MASS SPECTROMETRY DATA INDEPENDENTLY GENERATED BY SCRIPPS CENTER FOR METABOLOMICS IS AVAILABLE TO VIEW OR DOWNLOAD IN PDF. 716391.PDF TESTED METABOLITES ARE FEATURED ON SCRIPPS CENTER FOR METABOLOMICS METLIN METABOLITE DATABASE. TO LEARN MORE, VISIT SIGMA.COM/METLIN WGK: 3 |
Safety information |
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Symbol: |
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Signal word: | Warning |
Hazard statements: | H302-H315-H319-H335 |
Precautionary statements: | P261-P305 + P351 + P338 |
hazard symbol: | Xn |
Risk Code: | R:22-36/37/38 |
Safe Code: | S:26-36 |
WGK Germany: | 3 |
3-HYDROXY-4-METHOXYPHENYLACETIC ACID
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