Pro_Molecular_Structure:
pro_cdbregno:CCD00002645
(+/-)-3-苯基丁酸
pro_cas:
4593-90-2
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： | ZYLEXA-PHARM ZP-TV000693 ; ATTERCOP-CHM AT127465 ; OTAVA-BB 1042017 ; (+/-)-BETA-METHYLHYDROCINNAMIC ACID ; ZERENEX ZX-OA000693 ; 3-PHENYLBUTYRIC ACID ; (+/-)-3-PHENYLBUTYRIC ACID ; RARECHEM AL BE 0683 ; 3-PHENYLBUTANOIC ACID ; EMOLECULES 479201 |
| 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.
