302-97-6

Name 4-Androsten-3-one-5-ene-17-carboxylic acid
CAS 302-97-6
EINECS(EC#) 202-074-1
Molecular Formula C20H27O3
MDL Number MFCD00271288
Molecular Weight 315.43
MOL File 302-97-6.mol
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Chemical Properties

Melting point  260 °C(Solv: acetone (67-64-1); hexane (110-54-3))
Boiling point  483.9±45.0 °C(Predicted)
density  1.17±0.1 g/cm3(Predicted)
solubility  Chloroform (Slightly), Ethanol (Slightly, Sonicated), Methanol (Slightly)
form  Solid
pka 4.81±0.60(Predicted)
color  White to Off-White
InChI InChI=1S/C20H28O3/c1-19-9-7-13(21)11-12(19)3-4-14-15-5-6-17(18(22)23)20(15,2)10-8-16(14)19/h11,14-17H,3-10H2,1-2H3,(H,22,23)
InChIKey YQACAXHKQZCEOI-UHFFFAOYSA-N
SMILES C1C2(C)C(CCC3C2CCC2(C)C3CCC2C(O)=O)=CC(=O)C1
CAS DataBase Reference 302-97-6(CAS DataBase Reference)

Safety Data

Symbol(GHS)  Health Hazard (GHS08)
GHS08
Signal word  Warning
Hazard statements  H361f-H413
REACH Registrations Active

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