Crotocin

Base Information

• Chemical Name: Crotocin
• CAS No.: 21284-11-7
• Molecular Formula: C19H24 O5
• Molecular Weight: 332.43
• DSSTox Substance ID: DTXSID101046264
• Mol file: 21284-11-7.mol

Synonyms:crotocin

Chemical Property of Crotocin

Chemical Property:

• Melting Point: 126°C
• Refractive Index: 1.6120 (estimate)
• Boiling Point: 429.7°Cat760mmHg
• Flash Point: 188.2°C
• PSA: 60.59000
• Density: 1.28g/cm³
• LogP: 2.15430
• XLogP3: 1.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 3
• Exact Mass: 332.16237386
• Heavy Atom Count: 24
• Complexity: 683

Purity/Quality:

99% ^*data from raw suppliers

CROTOCIN 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC=CC(=O)OC1CC2C3(C1(C4(C(O2)C=C(C5C4O5)C)C)C)CO3
• Isomeric SMILES: C/C=C\C(=O)O[C@@H]1C[C@@H]2[C@]3(C1([C@@]4([C@H](O2)C=C([C@H]5[C@@H]4O5)C)C)C)CO3