2-Methylendothall

Base Information

• Chemical Name: 2-Methylendothall
• CAS No.: 127380-61-4
• Molecular Formula: C9H12 O5
• Molecular Weight: 200.1886
• DSSTox Substance ID: DTXSID70925877
• Mol file: 127380-61-4.mol

Synonyms:2-Methylendothall;127380-61-4;2-Methyl-7-oxabicyclo(2.2.1)heptane-2,3-dicarboxylic acid (exo,exo)-;7-Oxabicyclo(2.2.1)heptane-2,3-dicarboxylic acid, 2-methyl-, (exo,exo)-;DTXSID70925877;LS-98745;2-Methyl-7-oxabicyclo[2.2.1]heptane-2,3-dicarboxylic acid

Chemical Property of 2-Methylendothall

Chemical Property:

• Vapor Pressure: 2.41E-08mmHg at 25°C
• Boiling Point: 423.1°Cat760mmHg
• Flash Point: 175.2°C
• Density: 1.438g/cm³
• XLogP3: -0.1
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 2
• Exact Mass: 200.06847348
• Heavy Atom Count: 14
• Complexity: 300

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1(C2CCC(C1C(=O)O)O2)C(=O)O
• Isomeric SMILES: CC1([C@H]2CCC(C1C(=O)O)O2)C(=O)O