basic_info |
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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 ; (+/-)-3-PHENYLBUTYRIC ACID ; ZYLEXA-PHARM ZP-TV000693 ; RARECHEM AL BE 0683 ; OTAVA-BB 1042017 ; 3-PHENYLBUTANOIC ACID ; 3-PHENYLBUTYRIC ACID ; EMOLECULES 479201 ; (+/-)-BETA-METHYLHYDROCINNAMIC ACID ; ZERENEX ZX-OA000693 |
| 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 |
property |
|
| 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 |
secure_info |
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| secure_wgk_germany: | 3 |
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