9-Deoxyclavulanic Acid
[CAS# 69779-62-0]

Identification

• Name: 9-Deoxyclavulanic Acid
• Synonyms: (3Z)-3-Ethylidene-7-Keto-4-Oxa-1-Azabicyclo[3.2.0]Heptane-2-Carboxylic Acid; 4-Oxa-1-Azabicyclo(3.2.0)Heptane-2-Carboxylic Acid, 3-Ethylidene-7-Oxo-, (2R-(2Alpha,3Z,5Alpha))-; 9-Deocla
• Molecular Formula: C₈H₉NO₄
• Molecular Weight: 183.16
• CAS Registry Number: 69779-62-0
• SMILES: C/C=C/1OC2N(C1C(=O)O)C(=O)C2
• InChI: 1S/C8H9NO4/c1-2-4-7(8(11)12)9-5(10)3-6(9)13-4/h2,6-7H,3H2,1H3,(H,11,12)/b4-2-
• InChIKey: NANZRLBCRZGDHH-RQOWECAXSA-N

Properties

• Density: 1.493g/cm³ (Cal.)
• Boiling point: 442.271°C at 760 mmHg (Cal.)
• Flash point: 221.278°C (Cal.)