68000-21-5

Name 3-Cyclohexene-1-carboxylicacid,methylester,(1S)-(9CI)
CAS 68000-21-5
Molecular Formula C8H12O2
MDL Number MFCD18830681
Molecular Weight 140.18
MOL File 68000-21-5.mol

Chemical Properties

Boiling point  174.9±19.0 °C(Predicted)
density  1.020±0.06 g/cm3(Predicted)
storage temp.  Storage temp. 2-8°C
Appearance Colorless to light yellow Liquid
Optical Rotation -90.7° (C=0.50 g/100ml CHCL3)
InChI InChI=1S/C8H12O2/c1-10-8(9)7-5-3-2-4-6-7/h2-3,7H,4-6H2,1H3/t7-/m1/s1
InChIKey IPUNVLFESXFVFH-SSDOTTSWSA-N
SMILES [C@H]1(C(OC)=O)CCC=CC1

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