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扁桃酸乙酯 | 4358-88-7

扁桃酸乙酯
ethyl mandelate
4358-88-7
C10H12O3
180.20048
如需查看该化合物的详细结构式,mol文件,smile,InChi 请点击:扁桃酸乙酯结构式
13050
扁桃酸乙酯价格
名称和标识符
MDL MFCD00004494
InChIKey SAXHIDRUJXPDOD-UHFFFAOYSA-N
Inchi InChI=1S/C10H12O3/c1-2-13-10(12)9(11)8-6-4-3-5-7-8/h3-7,9,11H,2H2,1H3
SMILES CCOC(C(C1C=CC=CC=1)O)=O
别名信息
- 中文别名 -
  • 扁桃酸乙酯
  • 苦杏仁酸乙酯
  • 乙基 DL-扁桃酸盐
  • 5-(3,5-二氟苯基)异唑
  • DL-扁桃酸乙酯
  • Ethyl DL-Mandelate DL-扁桃酸乙酯
- 英文别名 -
  • ethyl mandelate
  • ethylphenylglycolate
  • Mandelic Acid Ethyl Ester
  • Benzeneacetic acid, alpha-hydroxy-, ethyl ester
  • (+)-Ethyl mandelate
  • Ethyl DL-Mandelate
  • (+/-)-Ethyl mandelate
  • FT-0604394
  • FT-0604394
  • DTXSID6057829
  • DTXSID6057829
  • Benzeneacetic acid, .alpha.-hydroxy-, ethyl ester
  • Benzeneacetic acid, .alpha.-hydroxy-, ethyl ester
  • Ethyl2-Hydroxy-2-phenylacetate
  • Ethyl2-Hydroxy-2-phenylacetate
  • NSC-5307
  • NSC-5307
  • A2020
  • A2020
  • BRN 0975233
  • BRN 0975233
  • AI3-01643
  • AI3-01643
  • Ethyl dl-mandelate
  • Ethyl dl-mandelate
  • Benzeneacetic acid, a-hydroxy-, ethyl ester
  • Benzeneacetic acid, a-hydroxy-, ethyl ester
  • Benzeneacetic acid, alpha-hydroxy-, ethyl ester (9CI)
  • Benzeneacetic acid, alpha-hydroxy-, ethyl ester (9CI)
  • InChI=1/C10H12O3/c1-2-13-10(12)9(11)8-6-4-3-5-7-8/h3-7,9,11H,2H2,1H
  • InChI=1/C10H12O3/c1-2-13-10(12)9(11)8-6-4-3-5-7-8/h3-7,9,11H,2H2,1H
  • M0039
  • M0039
  • N10371
  • N10371
  • ETHYL MANDELATE
  • ETHYL MANDELATE
  • Mandelsaeureaethylester
  • Mandelsaeureaethylester
  • Hydroxy-Phenyl-Acetic Acid Ethyl Ester
  • Hydroxy-Phenyl-Acetic Acid Ethyl Ester
  • MFCD00064249
  • MFCD00064249
  • WLN: QYR&VO2
  • Mandelic acid, ethyl ester
  • WLN: QYR&VO2
  • Benzeneacetic acid, alpha-hydroxy-, ethyl ester, (R)-
  • Mandelic acid, ethyl ester
  • Benzeneacetic acid, alpha-hydroxy-, ethyl ester, (R)-
  • SY017476
  • AC-19778
  • SY017476
  • FT-0604422
  • AC-19778
  • NS00022776
  • FT-0604422
  • 4358-88-7
  • NS00022776
  • SR-01000944728-1
  • 4358-88-7
  • AKOS008952825
  • SR-01000944728-1
  • Ethyl hydroxy(phenyl)acetate #
  • AKOS008952825
  • NCGC00253766-01
  • CS-0071062
  • Ethyl hydroxy(phenyl)acetate #
  • FT-0658599
  • NCGC00253766-01
  • MFCD00064248
  • CS-0071062
  • SCHEMBL279960
  • FT-0658599
  • CAS-774-40-3
  • MFCD00064248
  • DL-MANDELIC ACID ETHYL ESTER
  • SCHEMBL279960
  • Q27117972
  • CAS-774-40-3
  • EINECS 212-263-0
  • DL-MANDELIC ACID ETHYL ESTER
  • A826337
  • Q27117972
  • Benzeneacetic acid, .alpha.-hydroxy-, ethyl ester, (R)-
  • EINECS 212-263-0
  • ethyl 2-oxidanyl-2-phenyl-ethanoate
  • A826337
  • EthylD-(-)-Mandelate
  • SY017475
  • Benzeneacetic acid, .alpha.-hydroxy-, ethyl ester, (R)-
  • alpha-Hydroxybenzeneacetic acid, Ethyl ester
  • ethyl 2-oxidanyl-2-phenyl-ethanoate
  • EthylD-(-)-Mandelate
  • 774-40-3
  • Tox21_113879
  • SY017475
  • Ethyl hydroxy(phenyl)acetate
  • alpha-Hydroxybenzeneacetic acid, Ethyl ester
  • F0001-1997
  • 774-40-3
  • ethyl 2-hydroxy-2-phenylacetate
  • Tox21_113879
  • NSC5307
  • Ethyl hydroxy(phenyl)acetate
  • CHEBI:38750
  • F0001-1997
  • NSC 5307
  • ethyl 2-hydroxy-2-phenylacetate
  • 2-hydroxy-2-phenylacetic acid ethyl ester
  • NSC5307
  • Ethyl (+-)-alpha-hydroxybenzeneacetate
  • CHEBI:38750
  • Mandelic acid ethyl ester
  • NSC 5307
  • AM81399
  • 2-hydroxy-2-phenylacetic acid ethyl ester
  • (R)-Hydroxy-phenyl-acetic acid ethyl ester
  • Ethyl (+-)-alpha-hydroxybenzeneacetate
  • 2-10-00-00121 (Beilstein Handbook Reference)
  • Mandelic acid ethyl ester
  • Ethyl phenylglycolate
  • AM81399
  • Mandelsaeureaethylester [German]
  • (R)-Hydroxy-phenyl-acetic acid ethyl ester
  • Benzeneacetic acid, alpha-hydroxy-, ethyl ester, (+-)-
  • 2-10-00-00121 (Beilstein Handbook Reference)
  • CHEMBL165662
  • Ethyl phenylglycolate
  • FT-0659176
  • Mandelsaeureaethylester [German]
  • MFCD00004494
  • Benzeneacetic acid, alpha-hydroxy-, ethyl ester, (+-)-
  • Benzeneacetic acid,a-hydroxy-,ethyl ester
  • CHEMBL165662
  • DTXCID7031618
  • FT-0659176
  • A839095
  • MFCD00004494
  • Benzeneacetic acid,a-hydroxy-,ethyl ester
  • SR-01000944728
  • (+)-Ethyl Mandelate
  • DTXCID7031618
  • Ethyl DL-mandelate
  • A839095
  • SR-01000944728
  • (+)-Ethyl Mandelate
  • Ethyl DL-mandelate
物化性质
实验特性
折射率 1.512
沸点 253-255 ºC
熔点 35.5°C
闪点 113 ºC
颜色与性状 不确定
溶解性 不确定
密度 1.115
计算特性
精确分子量 180.078644
氢键供体数量 1
氢键受体数量 3
可旋转化学键数量 4
同位素质量 180.078644
重原子数量 13
复杂度 162
同位素原子数量 0
确定原子立构中心数量 0
不确定原子立构中心数量 1
确定化学键立构中心数量 0
不确定化学键立构中心数量 0
共价键单元数量 1
疏水参数计算参考值(XlogP) 1.5
表面电荷 0
拓扑分子极性表面积 46.5
专业数据库参考
PubChemId 13050
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