68432-95-1 (酮洛芬杂质C,3-Carboxy-α-methylbenzeneacetic Acid(Ketoprofen Impurity))

CAS号:
68432-95-1
中文名称:
酮洛芬杂质C
英文名称:
3-Carboxy-α-methylbenzeneacetic Acid(Ketoprofen Impurity)
分子式:
C10H10O4
分子量:
194.184003353119

酮洛芬杂质C(68432-95-1)名称与标识符

名称

中文别名:
酮洛芬杂质C;1-苯乙腈咪唑;酮基布洛芬杂质C(EP) 标准品;酮洛芬相关化合物 C;酮洛芬相关物质C;酮洛芬相关物质C USP标准品;酮洛芬杂质C EP标准品;3-羧基-alpha-甲基苯乙酸;酮基布洛芬杂质C;
英文别名:
Ketoprofen Related Compound C;3-Carboxy-α-methylbenzeneacetic Acid (Ketoprofen Impurity);3-(1-carboxyethyl)benzoic acid;3-Carboxy-α-methyl-benzeneacetic Acid (Ketoprofen Impurity);3-Carboxy-α-methylbenzeneacetic Acid (Ketoprofen Impurity);2-(3-CARBOXYPHENYL)PROPANOIC ACID;2-(3-Carboxyphenyl)propionic acid;2-(3-Carboxyphenyl)-propionsaeure;3-Carboxy-;A-methyl-benzeneacetic Acid;A-methylbenzeneacetic Acid(Ketoprofen Impurity);rac-3-Carboxy-;3-Carboxy-α-methylbenzeneacetic acid;3-[(1RS)-1-Carboxyethyl]benzoic acid;DF 2008Y;Ketoprofen impurity C;Ketoprofen specified impurity C [EP];BENZENEACETIC ACID, 3-CARBOXY-.ALPHA.-METHYL-;DF-2008Y;Ketoprofen Imp. C (EP); Ketoprofen USP Related Compound C; Ketoprofen USP RC C; 3-[(1RS)-1-Carboxyethyl]benzoic Acid; Ketoprofen Related Compound C; Ketoprofen Impurity C;3-Carboxy-alpha-methylbenzeneacetic acid;Z1198274968;DTXSID701290417;KETOPROFEN IMPURITY C [EP IMPURITY];U76LP2N35E;FT-0664336;CHEMBL190835;68432-95-1;3-(1-Carboxyethyl)benzoic acid, (+/-)-;3-(1-Carboxyethyl)benzoic acid, (RS)-;3-(1-carboxyethyl) benzoic acid acid;EN300-374648;Benzeneacetic acid, 3-carboxy-alpha-methyl-;3-((1RS)-1-Carboxyethyl)benzoic acid;3-CARBOXY-ALPHA-METHYLBENZENEACETIC ACID(KETOPROFEN IMPURITY);3-Carboxy-?-methylbenzeneacetic Acid(Ketoprofen Impurity);(+/-)-3-(1-carboxyethyl)benzoic acid;3-(1-carboxyethyl)benzoicacid;AKOS006302461;Q27290784;CS-0247848;UNII-U76LP2N35E;Ketoprofen Imp. C (EP): 3-[(1RS)-1-Carboxylethyl]-benzoic Acid;DB-082515;3-Carboxy-I+/--methylbenzeneacetic acid;G82800;STL450930;

标识符

InChIKey:
RIXOZEBXQQUHQW-UHFFFAOYSA-N
Inchi:
1S/C10H10O4/c1-6(9(11)12)7-3-2-4-8(5-7)10(13)14/h2-6H,1H3,(H,11,12)(H,13,14)
SMILES:
OC(C(C)C1C=CC=C(C(=O)O)C=1)=O

酮洛芬杂质C(68432-95-1)物化性质

实验特性

  • LogP : 1.57290
  • PSA : 74.60000
  • 溶解度 : 微溶 (4.3 g/L) (25 ºC),
  • 密度 : 1.324±0.06 g/cm3 (20 ºC 760 Torr),

计算特性

  • 精确分子量 : 194.05800
  • 氢键供体数量 : 2
  • 氢键受体数量 : 4
  • 可旋转化学键数量 : 3
  • 同位素质量 : 194.05790880g/mol
  • 重原子数量 : 14
  • 复杂度 : 236
  • 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) : 1.3
  • 拓扑分子极性表面积 : 74.6Ų

酮洛芬杂质C(68432-95-1)上下游

酮洛芬杂质C(68432-95-1)参考资料

Reaxys RN:
PubChem CID: