Molecular Structure:
CAS No.:
4593-90-2
Product Name.:
CCD No.:CCD00002645
Formula:C10H12O2
MolWeight:164.203
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| Product Name： | 3-PHENYLBUTYRIC ACID |
| CAS： | 4593-90-2 |
| English Synonyms： | ATTERCOP-CHM AT127465 ; 3-PHENYLBUTANOIC ACID ; EMOLECULES 479201 ; RARECHEM AL BE 0683 ; ZYLEXA-PHARM ZP-TV000693 ; ZERENEX ZX-OA000693 ; (+/-)-3-PHENYLBUTYRIC ACID ; 3-PHENYLBUTYRIC ACID ; (+/-)-BETA-METHYLHYDROCINNAMIC ACID ; OTAVA-BB 1042017 |
| MDL Number.： | MFCD00002725 |
| H bond acceptor： | 2 |
| H bond donor： | 1 |
| Smile： | C1(=CC=CC=C1)C(CC(=O)O)C |
| InChi： | InChI=1S/C10H12O2/c1-8(7-10(11)12)9-5-3-2-4-6-9/h2-6,8H,7H2,1H3,(H,11,12) |
| InChiKey： | InChIKey=ZZEWMYILWXCRHZ-UHFFFAOYSA-N |
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| Melting Point： | 35-38 DEG C(LIT) |
| Boiling Point： | 170-172 DEG C/20 MMHG(LIT) |
| Density： | 1.515g/mLat25°C(lit.) |
| Physical Property： | FLASHPOINT: 110 DEG C FLASHPOINT: 230 DEG F |
| Comments： | OTHER NOTES: TANDEM MASS SPECTROMETRY DATA INDEPENDENTLY GENERATED BY SCRIPPS CENTER FOR METABOLOMICS IS AVAILABLE TO VIEW OR DOWNLOAD IN PDF. 116807.PDF TESTED METABOLITES ARE FEATURED ON SCRIPPS CENTER FOR METABOLOMICS METLIN METABOLITE DATABASE. TO LEARN MORE, VISIT SIGMA.COM/METLIN UNSPSC: 12352100 WGK: 3 |
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| WGK Germany： | 3 |
Basic Information
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