78507-15-0 ((Dimethano-1,4: 5,8 methylene-10 octahydro-1,4,4a,5,8,8a,9a,10a 9H, 10H-anthracenone-9)

CAS号:
78507-15-0
英文名称:
Dimethano-1,4: 5,8 methylene-10 octahydro-1,4,4a,5,8,8a,9a,10a 9H, 10H-anthracenone-9
分子式:
C17H18O
分子量:
238.324224948883

Dimethano-1,4: 5,8 methylene-10 octahydro-1,4,4a,5,8,8a,9a,10a 9H, 10H-anthracenone-9(78507-15-0)名称与标识符

名称

英文别名:
Dimethano-1,4: 5,8 methylene-10 octahydro-1,4,4a,5,8,8a,9a,10a 9H, 10H-anthracenone-9;1,4:5,8-Dimethanoanthracen-9(4H)-one, 1,4a,5,8,8a,9a,10,10a-octahydro-10-methylene-, (1α,4α,4aα,5β,8β,8aβ,9aα,10aβ)- (9CI);

标识符

InChIKey:
QTFQDEWANKLVBW-DDJMUGOQSA-N
Inchi:
1S/C17H18O/c1-8-13-9-2-4-11(6-9)15(13)17(18)16-12-5-3-10(7-12)14(8)16/h2-5,9-16H,1,6-7H2/t9-,10-,11+,12+,13-,14-,15+,16+/m1/s1
SMILES:
[C@]12([H])C[C@]([H])([C@]3([H])[C@@]1([H])C(=O)[C@]1([H])[C@@]([H])([C@@]4([H])C[C@]1([H])C=C4)C3=C)C=C2

Dimethano-1,4: 5,8 methylene-10 octahydro-1,4,4a,5,8,8a,9a,10a 9H, 10H-anthracenone-9(78507-15-0)物化性质

实验特性

  • LogP : 3.00190
  • PSA : 17.07000
  • 沸点 : 382.8±42.0 °C(Predicted)
  • 密度 : 1.20±0.1 g/cm3(Predicted)

计算特性

  • 精确分子量 : 238.13600

Dimethano-1,4: 5,8 methylene-10 octahydro-1,4,4a,5,8,8a,9a,10a 9H, 10H-anthracenone-9(78507-15-0)上下游