trans-Dehydrocrotonin

Base Information

• Chemical Name: trans-Dehydrocrotonin
• CAS No.: 72548-29-9
• Molecular Formula: C19H22 O4
• Molecular Weight: 314.379
• Nikkaji Number: J440.105K
• Wikidata: Q104398605
• Mol file: 72548-29-9.mol

Synonyms:dehydrocrotonin;trans-dehydrocrotonin

Chemical Property of trans-Dehydrocrotonin

Chemical Property:

• PSA: 56.51000
• LogP: 3.83540
• XLogP3: 2.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 314.15180918
• Heavy Atom Count: 23
• Complexity: 566

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1CCC2C(C13CC(OC3=O)C4=COC=C4)CC(=O)C=C2C
• Isomeric SMILES: C[C@@H]1CC[C@@H]2[C@@H]([C@@]13C[C@@H](OC3=O)C4=COC=C4)CC(=O)C=C2C