azanium;buta-1,3-diene;(E)-4-hydroxy-4-oxobut-2-enoate;styrene

Base Information

• Chemical Name: azanium;buta-1,3-diene;(E)-4-hydroxy-4-oxobut-2-enoate;styrene
• CAS No.: 67801-75-6
• Molecular Formula: C16H21NO4
• Molecular Weight: 291.34224
• Mol file: 67801-75-6.mol

Synonyms:67801-75-6;(C8-H8.C4-H6.C4-H4-O4)x-.x-H3-N

Chemical Property of azanium;buta-1,3-diene;(E)-4-hydroxy-4-oxobut-2-enoate;styrene

Chemical Property:

• Boiling Point: 145.2oC at 760 mmHg
• Flash Point: 31.1oC
• PSA: 77.84000
• LogP: 3.72370
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 291.14705815
• Heavy Atom Count: 21
• Complexity: 219

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C=CC=C.C=CC1=CC=CC=C1.C(=CC(=O)[O-])C(=O)O.[NH4+]
• Isomeric SMILES: C=CC=C.C=CC1=CC=CC=C1.C(=C/C(=O)[O-])\C(=O)O.[NH4+]