2-Oxo-6-Dehydroxyneoanisatin
[CAS# 128129-58-8]

Identification

• Name: 2-Oxo-6-Dehydroxyneoanisatin
• Synonyms: 2-Oxo-6-Dehydroxyneoanisatin Deriv.; Spiro(6H-4,9A-Methanocyclopent(D)Oxocin-6,3'-Oxetane)-2,2'8(1H,9H)-Trione, Tetrahydro-1,6A-Dihydroxy-5,9-Dimethyl-, (1R-(1-Alpha,4-Beta,5-Alpha,6-Beta,6A-Beta,9-Alpha,9A-Beta))-
• Molecular Formula: C₁₅H₁₈O₇
• Molecular Weight: 310.30
• CAS Registry Number: 128129-58-8
• SMILES: [C@@H]1(C(O[C@@H]3[C@@H](C4([C@]2(C1([C@H](C(C2)=O)C)C3)O)C(OC4)=O)C)=O)O
• InChI: 1S/C15H18O7/c1-6-8(16)3-15(20)13(6)4-9(22-11(18)10(13)17)7(2)14(15)5-21-12(14)19/h6-7,9-10,17,20H,3-5H2,1-2H3/t6-,7-,9-,10-,13?,14?,15-/m0/s1
• InChIKey: PKSKJUUWVGTFQJ-YLJFTQHESA-N

Properties

• Density: 1.531g/cm³ (Cal.)
• Boiling point: 594.92°C at 760 mmHg (Cal.)
• Flash point: 226.926°C (Cal.)