1,5-Dimethyl-3-methylidene-4-oxo-6-oxabicyclo[3.1.0]hexane-2-carboxylic acid

Base Information

• Chemical Name: 1,5-Dimethyl-3-methylidene-4-oxo-6-oxabicyclo[3.1.0]hexane-2-carboxylic acid
• CAS No.: 52775-76-5
• Molecular Formula: C₉H₁₀O₄
• Molecular Weight: 182.176
• NSC Number: 237001
• DSSTox Substance ID: DTXSID40967224
• Wikidata: Q105108774
• Metabolomics Workbench ID: 125938
• ChEMBL ID: CHEMBL1979382
• Mol file: 52775-76-5.mol

Synonyms:NSC237001;1,5-dimethyl-3-methylidene-4-oxo-6-oxabicyclo[3.1.0]hexane-2-carboxylic acid;NSC-237001;ENOMYCIN A, METHYL-;CHEMBL1979382;DTXSID40967224;NCI60_001906

Chemical Property of 1,5-Dimethyl-3-methylidene-4-oxo-6-oxabicyclo[3.1.0]hexane-2-carboxylic acid

Chemical Property:

• Vapor Pressure: 1.49E-05mmHg at 25°C
• Melting Point: 115° (dec); mp of the (±)-form: 88.5-89°
• Refractive Index: 1.4600 (estimate)
• Boiling Point: 341.2°Cat760mmHg
• PKA: 3.65(at 25℃)
• Flash Point: 141.2°C
• PSA: 66.90000
• Density: 1.35g/cm³
• LogP: 0.37370
• XLogP3: 0
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 182.05790880
• Heavy Atom Count: 13
• Complexity: 346

Purity/Quality:

99%, ^*data from raw suppliers

METHYLENOMYCIN A 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC12C(C(=C)C(=O)C1(O2)C)C(=O)O