Molecular Structure:
CCD No.:CCD00002645
3-PHENYLBUTYRIC ACID
CAS No.:
4593-90-2
Formula:C10H12O2
MolWeight:164.203
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| Product Name： | 3-PHENYLBUTYRIC ACID |
| CAS： | 4593-90-2 |
| English Synonyms： | (+/-)-3-PHENYLBUTYRIC ACID ; ZERENEX ZX-OA000693 ; ATTERCOP-CHM AT127465 ; 3-PHENYLBUTYRIC ACID ; RARECHEM AL BE 0683 ; ZYLEXA-PHARM ZP-TV000693 ; OTAVA-BB 1042017 ; (+/-)-BETA-METHYLHYDROCINNAMIC ACID ; 3-PHENYLBUTANOIC ACID ; EMOLECULES 479201 |
| 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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