100019-21-4 (1H-茚-5-羧酸,2,3,3a,6,7,7a-六氢-3-羟基-1-甲基-3a-(2-甲基-1-氧代丙基)-,(1R,3R,3aS,7aS)-,1H-Indene-5-carboxylicacid, 2,3,3a,6,7,7a-hexahydro-3-hydroxy-1-methyl-3a-(2-methyl-1-oxopropyl)-,(1R,3R,3aS,7aS)-)

CAS号:
100019-21-4
中文名称:
1H-茚-5-羧酸,2,3,3a,6,7,7a-六氢-3-羟基-1-甲基-3a-(2-甲基-1-氧代丙基)-,(1R,3R,3aS,7aS)-
英文名称:
1H-Indene-5-carboxylicacid, 2,3,3a,6,7,7a-hexahydro-3-hydroxy-1-methyl-3a-(2-methyl-1-oxopropyl)-,(1R,3R,3aS,7aS)-
分子式:
C15H22O4
分子量:
266.332785129547

1H-茚-5-羧酸,2,3,3a,6,7,7a-六氢-3-羟基-1-甲基-3a-(2-甲基-1-氧代丙基)-,(1R,3R,3aS,7aS)-(100019-21-4)名称与标识符

名称

英文别名:
1H-Indene-5-carboxylicacid, 2,3,3a,6,7,7a-hexahydro-3-hydroxy-1-methyl-3a-(2-methyl-1-oxopropyl)-,(1R,3R,3aS,7aS)-;(-)-Pernetic acid E;1H-Indene-5-carboxylicacid, 2,3,3a,6,7,7a-hexahydro-3-hydroxy-1-methyl-3a-(2-methyl-1-oxopropyl)-,[1R-(1a,3b,3aa,7aa)]-;Pernetic acid E;1H-Indene-5-carboxylic acid, 2,3,3a,6,7,7a-hexahydro-3-hydroxy-1-methyl-3a-(2-methyl-1-oxopropyl)-, (1R,3R,3aS,7aS)-;

标识符

InChIKey:
DPAPFQJDXGYKDD-JDTTZNEISA-N
Inchi:
1S/C15H22O4/c1-8(2)13(17)15-7-10(14(18)19)4-5-11(15)9(3)6-12(15)16/h7-9,11-12,16H,4-6H2,1-3H3,(H,18,19)/t9-,11+,12-,15-/m1/s1
SMILES:
[C@H]1(C)[C@@]2([H])[C@](C(=O)C(C)C)(C=C(C(O)=O)CC2)[C@H](O)C1

1H-茚-5-羧酸,2,3,3a,6,7,7a-六氢-3-羟基-1-甲基-3a-(2-甲基-1-氧代丙基)-,(1R,3R,3aS,7aS)-(100019-21-4)物化性质

实验特性

  • PSA : 74.6
  • 沸点 : 433.4±45.0 °C(Predicted)
  • 酸度系数(pKa) : 4.56±0.70(Predicted)
  • 密度 : 1?+-.0.06 g/cm3(Predicted)

计算特性

  • 精确分子量 : 266.15186