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4075-07-4

Name 4,16-Androstadien-3-one
CAS 4075-07-4
EINECS(EC#) 251-228-4
Molecular Formula C19H26O
MDL Number MFCD00199504
Molecular Weight 270.41
MOL File 4075-07-4.mol

Chemical Properties

Melting point  131.5-133.5 °C
Boiling point  390.3±42.0 °C(Predicted)
density  1.07±0.1 g/cm3(Predicted)
solubility  Chloroform (Slightly), Methanol (Slightly)
form  Solid
color  White to Off-White
InChI InChI=1S/C19H26O/c1-18-9-3-4-16(18)15-6-5-13-12-14(20)7-11-19(13,2)17(15)8-10-18/h3,9,12,15-17H,4-8,10-11H2,1-2H3/t15-,16-,17-,18-,19-/m0/s1
InChIKey HNDHDMOSWUAEAW-VMXHOPILSA-N
SMILES C1(=O)C=C2[C@](C)(CC1)[C@]1([H])[C@]([H])([C@@]3([H])[C@@](CC1)(C)C=CC3)CC2
LogP 4.815 (est)

Safety Data

Symbol(GHS) 
GHS08
Signal word  Warning
Hazard statements  H351
Precautionary statements  P201-P202-P281-P308+P313-P405-P501

Hazard Information

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