(2-exo,3-exo,5-endo)-5-(Hydroxymethyl)-7-oxabicyclo(2.2.1)heptane-2,3-dicarboxylic acid

Base Information

• Chemical Name: (2-exo,3-exo,5-endo)-5-(Hydroxymethyl)-7-oxabicyclo(2.2.1)heptane-2,3-dicarboxylic acid
• CAS No.: 109282-32-8
• Molecular Formula: C9H12 O6
• Molecular Weight: 216.188
• DSSTox Substance ID: DTXSID30911079
• Wikidata: Q76156718
• Mol file: 109282-32-8.mol

Synonyms:(2-exo,3-exo,5-endo)-5-(Hydroxymethyl)-7-oxabicyclo(2.2.1)heptane-2,3-dicarboxylic acid;7-Oxabicyclo(2.2.1)heptane-2,3-dicarboxylic acid, 5-(hydroxymethyl)-, (2-exo,3-exo,5-endo)-;109282-32-8;DTXSID30911079;LS-98739;5-(Hydroxymethyl)-7-oxabicyclo[2.2.1]heptane-2,3-dicarboxylic acid

Chemical Property of (2-exo,3-exo,5-endo)-5-(Hydroxymethyl)-7-oxabicyclo(2.2.1)heptane-2,3-dicarboxylic acid

Chemical Property:

• Vapor Pressure: 8.62E-13mmHg at 25°C
• Boiling Point: 515.7°C at 760 mmHg
• Flash Point: 212.8°C
• Density: 1.551g/cm³
• XLogP3: -1.2
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 3
• Exact Mass: 216.06338810
• Heavy Atom Count: 15
• Complexity: 301

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1C(C2C(C(C1O2)C(=O)O)C(=O)O)CO
• Isomeric SMILES: C1[C@@H]([C@H]2[C@H]([C@H]([C@@H]1O2)C(=O)O)C(=O)O)CO