Molecular Structure of (-)-(1R,2S,3R,6S)-7-Oxabicyclo(4.1.0)hept-4-ene-2,3-diol (CAS NO. 121153-48-8):

IUPAC Name: (1R,2R,3S,6S)-7-Oxabicyclo[4.1.0]hept-4-ene-2,3-diol 
Molecular Formula: C₆H₈O₃
Molecular Weight: 128.125920 g/mol
XLogP3-AA: -1.1
H-Bond Donor: 2
H-Bond Acceptor: 3
Canonical SMILES: C1=CC2C(O2)C(C1O)O
Isomeric SMILES: C1=C[C@H]2[C@H](O2)[C@@H]([C@H]1O)O
InChI: InChI=1S/C6H8O3/c7-3-1-2-4-6(9-4)5(3)8/h1-8H/t3-,4-,5+,6-/m0/s1
InChIKey: JKZWMSHRWLYMOD-AZGQCCRYSA-N
Index of Refraction: 1.64
Molar Refractivity: 30.11 cm³
Molar Volume: 83.5 cm³
Surface Tension: 66.3 dyne/cm
Vapour Pressure : 0.00042 mmHg at 25 °C
Flash Point: 124.1 °C
Enthalpy of Vaporization: 60.4 kJ/mol
Boiling Point: 281.5 °C at 760 mmHg
Density of (-)-(1R,2S,3R,6S)-7-Oxabicyclo(4.1.0)hept-4-ene-2,3-diol (CAS NO. 121153-48-8): 1.534 g/cm³

Questionable carcinogen with experimental carcinogenic data. When heated to decomposition it emits acrid smoke and irritating vapors.

  (-)-(1R,2S,3R,6S)-7-Oxabicyclo(4.1.0)hept-4-ene-2,3-diol with cas registry number of 121153-48-8 is also called for (-)-1-beta,2-alpha-Dihydroxy-3-alpha,4-alpha-epoxy-1,2,3,4-tetrahydrobenzene ; CCRIS 2985 ; (1R-(1alpha,2beta,3alpha,6alpha))-7-Oxabicyclo(4.1.0)hept-ene-2,3-diol ; 7-Oxabicyclo(4.1.0)hept-4-ene-2,3-diol, (1R-(1-alpha,2-beta,3-alpha,6-alpha))- .