Pro_Molecular_Structure:
pro_cas:
4593-90-2
Product_Name.:
pro_cdbregno:CCD00002645
pro_formula:C10H12O2
pro_molWeight:164.203
* If the product has intellectual property rights, a license granted is must or contact us.
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| Product_Name： | (+/-)-3-苯基丁酸 |
| CAS： | 4593-90-2 |
| 中文同义词： | 3-苯基丁酸 ; (+/-)-3-苯基丁酸 |
| EnglishSynonyms： | ATTERCOP-CHM AT127465 ; ZERENEX ZX-OA000693 ; RARECHEM AL BE 0683 ; ZYLEXA-PHARM ZP-TV000693 ; EMOLECULES 479201 ; 3-PHENYLBUTYRIC ACID ; (+/-)-3-PHENYLBUTYRIC ACID ; OTAVA-BB 1042017 ; 3-PHENYLBUTANOIC ACID ; (+/-)-BETA-METHYLHYDROCINNAMIC ACID |
| pro_mdlNumber： | MFCD00002725 |
| pro_acceptors： | 2 |
| pro_donors： | 1 |
| pro_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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| MeltingPoint： | 35-38 DEG C(LIT) |
| Boiling_Point： | 170-172 DEG C/20 MMHG(LIT) |
| Density： | 1.515g/mLat25°C(lit.) |
| PhysicalProperty： | 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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| secure_wgk_germany： | 3 |
basic_info
* If the product has intellectual property rights, a license granted is must or contact us.
