97804-50-7

Name (1R,4S,4aR,9aS)-rel-1,4,4a,9a-Tetrahydro-4a-methyl-1,4-methanoanthracene-9,10-dione
CAS 97804-50-7
Molecular Formula C16H14O2
Molecular Weight 238.28
MOL File 97804-50-7.mol

Chemical Properties

Melting point  82-84 °C
Boiling point  394.5±42.0 °C(Predicted)
density  1.267±0.06 g/cm3(Predicted)
storage temp.  Sealed in dry,Room Temperature
solubility  Chloroform (Slightly), Ethyl Acetate (Slightly)
form  Solid
color  White to Light Yellow
InChI InChI=1/C16H14O2/c1-16-10-7-6-9(8-10)13(16)14(17)11-4-2-3-5-12(11)15(16)18/h2-7,9-10,13H,8H2,1H3/t9-,10+,13+,16+/s3
InChIKey NELNWZJOZOSDFH-AMBGAKGANA-N
SMILES [C@]12([H])C[C@]([H])([C@]3(C)[C@@]1([H])C(=O)C1=C(C=CC=C1)C3=O)C=C2 |&1:0,3,5,7,r|

Safety Data

Symbol(GHS)  Exclamation Mark (GHS07)
GHS07
Signal word  Warning
Hazard statements  H302-H315-H319-H332-H335
Precautionary statements  P261-P280-P305+P351+P338

Hazard Information

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