(3aR,7aS)-2,2-Dimethyl-3A,7A-Dihydro-1,3-Benzodioxole-4-Carbonitrile
[CAS# 150767-96-7]

Identification

• Name: (3aR,7aS)-2,2-Dimethyl-3A,7A-Dihydro-1,3-Benzodioxole-4-Carbonitrile
• Synonyms: (+)-CIS-2(R),3(S)-2,3-DIHYDROXY-2,3-DIHYDROBENZONITRILE ACETONIDE; (3aR,7aS)-2,2-dimethyl-3a,7a-dihydro-1,3-benzodioxole-4-carbonitrile
• Molecular Formula: C₁₀H₁₁NO₂
• Molecular Weight: 177.20
• CAS Registry Number: 150767-96-7
• SMILES: N#C\C1=C\C=C/[C@@H]2OC(O[C@H]12)(C)C
• InChI: 1S/C10H11NO2/c1-10(2)12-8-5-3-4-7(6-11)9(8)13-10/h3-5,8-9H,1-2H3/t8-,9+/m0/s1
• InChIKey: MXAWGNNBDOUVJD-DTWKUNHWSA-N

Properties

• Density: 1.173g/cm³ (Cal.)
• Boiling point: 294.594°C at 760 mmHg (Cal.)
• Flash point: 118.885°C (Cal.)
• Refractive index: 1.538 (Cal.)