156-05-8 (苯丙酸,α-羟基-,Benzenepropanoic acid, a-hydroxy-)

CAS号:
156-05-8
中文名称:
苯丙酸,α-羟基-
英文名称:
Benzenepropanoic acid, a-hydroxy-
分子式:
C9H10O3
分子量:
166.173902988434
植物源:

苯丙酸,α-羟基-(156-05-8)名称与标识符

名称

英文别名:
Benzenepropanoic acid, a-hydroxy-;3-phenyllactic acid;(+)-2-Hydroxy-3-phenylpropionic acid;(+)-3-Phenyllactic acid;(+)-beta-Phenyllactic acid;(+)-b-Phenyllactic acid;243-726-5;2-hydroxy-3-phenylpropanoic acid;2-Hydroxy-3-phenylpropans?ure;2-Hydroxy-3-phenylpropionic acid;3-Phenyl-2-hydroxypropanoic acid;3-PHENYL-LACTIC ACID;α-Hydroxyhydrocinnamic acid;α-Hydroxybenzenepropionic acid;b-Phenyllactate;DL-3-Phenyllactate;3-Phenyl-2-hydroxypropionic acid;EINECS 212-580-4;DL-2-Hydroxy-3-phenylpropionate;(RS)-2-Hydroxy-3-phenyl-propionic acid;?-PHENYLLACTIC ACID;(2rs)-2-hydroxy-3-phenylpropanoic acid;HY-W017162;3-Phenyl-2-hydroxypropanoate;AM20060840;FT-0624395;SC6T4O59BK;CS-W017878;Z788000648;SY036063;NSC2627;(1)-3-Phenyllactic acid;Benzenepropanoic acid, .alpha.-hydroxy-, (S)-;FT-0627624;Lactic acid, 3-phenyl-;EN300-124810;DL-b-Phenyllactate;a-Hydroxybenzenepropanoic acid;8C1DB5C8-C19C-4963-8F3E-B683EAB4B04F;b-phenyllactic acid;(+/-)-2-Hydroxy-3-phenylpropanoic acid;2-Hydroxy-3-phenylpropionate;F9995-2643;beta-Phenyllactic acid;SY020879;AS-19567;Lactic acid, 3-phenyl-, DL-;DL-beta-Phenyllactic acid;2-hydroxy-3-phenyl-propanoic acid;2-Hydroxy-3-phenylpropanoic acid #;Ba 2653;MFCD00065928;DL-.beta.-Phenyllactic acid;DL-2-Hydroxy-3-phenylpropionic acid;NS00079831;DL-.alpha.-Hydroxycinnamic acid;(+/-)-2-Hydroxy-3-phenylpropionic acid;alpha-Hydroxybenzenepropanoic acid;alpha-Hydroxybenzenepropanoate;SY021341;NSC 2627;DL-alpha-Hydroxycinnamic acid;NSC-2627;(R)-2-Hydroxy-3-phenyl-propionic acid;A840451;SCHEMBL57558;CHEBI:25998;a-Hydroxybenzenepropanoate;Q10395585;DTXSID30862436;DL-beta-Phenyllactate;828-01-3;156-05-8;Benzenepropanoic acid, .alpha.-hydroxy-;DL-b-Phenyllactic acid;(+/-)-3-Phenyllactic acid;beta-Phenyllactate;AKOS009103896;DL-3-Phenyllactic acid;DL-Phenyllactic acid;3-PHENYL-DL-LACTIC ACID;DL-3-Phenyllactic acid, >=98%;AC1610;D-beta-Phenyllactic acid;(RS)-2-hydroxy-3-phenyl propanoic acid;AI3-50440;(+-)-3-Phenyllactic acid;DL--Phenyllactic acid;Benzenepropanoic acid, alpha-hydroxy-;W-203882;UNII-SC6T4O59BK;FT-0625405;CHEMBL1778420;Benzyl-glycolic Acid;2-hydroxy-3-phenyl-propionic acid;(S)-2-Hydroxy-3-phenyl-propionic acid;beta-phenyl lactic acid;

标识符

InChIKey:
VOXXWSYKYCBWHO-UHFFFAOYSA-N
Inchi:
1S/C9H10O3/c10-8(9(11)12)6-7-4-2-1-3-5-7/h1-5,8,10H,6H2,(H,11,12)
SMILES:
OC(C(=O)O)CC1C=CC=CC=1

苯丙酸,α-羟基-(156-05-8)物化性质

实验特性

  • LogP : 1.83
  • PSA : 57.53

计算特性

  • 精确分子量 : 166.063
  • 氢键供体数量 : 2
  • 氢键受体数量 : 3
  • 可旋转化学键数量 : 3
  • 同位素质量 : 166.062994177g/mol
  • 重原子数量 : 12
  • 复杂度 : 150
  • 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) : 1.1
  • 互变异构体数量 : 无
  • 表面电荷 : 0
  • 拓扑分子极性表面积 : 57.5Ų

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