149898-13-5 ((5-Cycloheptene-1,4-dione, 7-(benzoyloxy)-2,2,5-trimethyl-)

CAS号:
149898-13-5
英文名称:
5-Cycloheptene-1,4-dione, 7-(benzoyloxy)-2,2,5-trimethyl-
分子式:
C17H18O4
分子量:
286.322425365448

5-Cycloheptene-1,4-dione, 7-(benzoyloxy)-2,2,5-trimethyl-(149898-13-5)名称与标识符

名称

英文别名:
5-Cycloheptene-1,4-dione, 7-(benzoyloxy)-2,2,5-trimethyl-;

标识符

InChIKey:
NGUVGHIXGAZTOS-UHFFFAOYSA-N
Inchi:
1S/C17H18O4/c1-11-9-14(15(19)17(2,3)10-13(11)18)21-16(20)12-7-5-4-6-8-12/h4-9,14H,10H2,1-3H3
SMILES:
C1(=O)C(OC(=O)C2=CC=CC=C2)C=C(C)C(=O)CC1(C)C

5-Cycloheptene-1,4-dione, 7-(benzoyloxy)-2,2,5-trimethyl-(149898-13-5)物化性质

实验特性

  • PSA : 60.44
  • 沸点 : 430.1±45.0 °C(Predicted)
  • 密度 : 1.17±0.1 g/cm3(Predicted)

计算特性

  • 精确分子量 : 286.12054