Iridotrial

Base Information

• Chemical Name: Iridotrial
• CAS No.: 69098-42-6
• Molecular Formula: C10H14O3
• Molecular Weight: 182.21600
• DSSTox Substance ID: DTXSID00693259
• Nikkaji Number: J2.370.749G
• Wikidata: Q27106950
• Mol file: 69098-42-6.mol

Synonyms:Iridotrial;C06070;69098-42-6;CHEBI:5968;DTXSID00693259;Q27106950;(1R,2S,5S)-2-[(1Z)-1-Hydroxy-3-oxoprop-1-en-2-yl]-5-methylcyclopentane-1-carbaldehyde;(1R,2S,5S)-2-[(Z)-1-formyl-2-hydroxy-vinyl]-5-methyl-cyclopentanecarbaldehyde;(1S,2R,3S)-2-Formyl-alpha-(hydroxymethylene)-3-methylcyclopentaneacetaldehyde

Chemical Property of Iridotrial

Chemical Property:

• PSA: 54.37000
• LogP: 1.48840
• XLogP3: 1.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 182.094294304
• Heavy Atom Count: 13
• Complexity: 232

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1CCC(C1C=O)C(=CO)C=O
• Isomeric SMILES: C[C@H]1CC[C@@H]([C@@H]1C=O)/C(=C/O)/C=O