Macromomycin I
[CAS# 70213-45-5]

Identification

• Name: Macromomycin I
• Synonyms: Methyl 7-Methoxy-2-Methylene-3-Oxo-4H-1,4-Benzoxazine-5-Carboxylate; 7-Methoxy-2-Methylene-3-Oxo-4H-1,4-Benzoxazine-5-Carboxylic Acid Methyl Ester; 3-Keto-7-Methoxy-2-Methylene-4H-1,4-Benzoxazine-5-Carboxylic Acid Methyl Ester
• Molecular Formula: C₁₂H₁₁NO₅
• Molecular Weight: 249.22
• CAS Registry Number: 70213-45-5 (12634-34-3)
• SMILES: C1=C(OC)C=C(C2=C1OC(C(=O)N2)=C)C(OC)=O
• InChI: 1S/C12H11NO5/c1-6-11(14)13-10-8(12(15)17-3)4-7(16-2)5-9(10)18-6/h4-5H,1H2,2-3H3,(H,13,14)
• InChIKey: HXKWEZFTHHFQMB-UHFFFAOYSA-N

Properties

• Density: 1.353g/cm³ (Cal.)
• Boiling point: 480.016°C at 760 mmHg (Cal.)
• Flash point: 244.105°C (Cal.)