(+/-)-3-苯基丁酸

CAS号
4593-90-2
CCD编号
CCD00002645
分子式
C10H12O2
分子量
164.203

基本信息

产品名称: (+/-)-3-苯基丁酸
CAS: 4593-90-2
中文同义词: (+/-)-3-苯基丁酸 ; 3-苯基丁酸
英文同义词: (+/-)-3-PHENYLBUTYRIC ACID ; RARECHEM AL BE 0683 ; 3-PHENYLBUTANOIC ACID ; EMOLECULES 479201 ; OTAVA-BB 1042017 ; ATTERCOP-CHM AT127465 ; ZERENEX ZX-OA000693 ; ZYLEXA-PHARM ZP-TV000693 ; (+/-)-BETA-METHYLHYDROCINNAMIC ACID ; 3-PHENYLBUTYRIC ACID
MDL号: MFCD00002725
氢键受体数量: 2
氢键供体数量: 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

性质

熔点: 35-38 DEG C(LIT)
沸点: 170-172 DEG C/20 MMHG(LIT)
密度: 1.515g/mLat25°C(lit.)
物理性质: FLASHPOINT: 110 DEG C
FLASHPOINT: 230 DEG F
注解: 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

安全信息

WGK德国: 3

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