(E)-but-2-enedioic acid;1-[4-(2-hydroxy-3-pyrrolidin-1-ylpropoxy)-3-(propoxymethyl)phenyl]propan-1-one

Base Information

• Chemical Name: (E)-but-2-enedioic acid;1-[4-(2-hydroxy-3-pyrrolidin-1-ylpropoxy)-3-(propoxymethyl)phenyl]propan-1-one
• CAS No.: 152271-10-8
• Molecular Formula: C44H66N2O12
• Molecular Weight: 815.007
• Mol file: 152271-10-8.mol

Synonyms:152271-10-8;(E)-but-2-enedioic acid;1-[4-(2-hydroxy-3-pyrrolidin-1-ylpropoxy)-3-(propoxymethyl)phenyl]propan-1-one;1-Propanone, 1-(4-(2-hydroxy-3-(1-pyrrolidinyl)propoxy)-3-(propoxymeth yl)phenyl)-, (E)-2-butenedioa;1-Propanone, 1-(4-(2-hydroxy-3-(1-pyrrolidinyl)propoxy)-3-(propoxymethyl)phenyl)-, (E)-2-butenedioate (2:1) (salt);LS-123073

Chemical Property of (E)-but-2-enedioic acid;1-[4-(2-hydroxy-3-pyrrolidin-1-ylpropoxy)-3-(propoxymethyl)phenyl]propan-1-one

Chemical Property:

• Vapor Pressure: 5.52E-11mmHg at 25°C
• Boiling Point: 504.1°Cat760mmHg
• Flash Point: 258.7°C
• PSA: 133.60000
• Density: g/cm³
• LogP: 2.69110
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 14
• Rotatable Bond Count: 24
• Exact Mass: 814.46157554
• Heavy Atom Count: 58
• Complexity: 503

Purity/Quality:

1-PROPANONE, 1-(4-(2-HYDROXY-3-(1-PYRROLIDINYL)PROPOXY)-3-(PROPOXYMETH YL)PHENYL)-, (E)-2-BUTENEDIOATE (2:1) (SALT) 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCOCC1=C(C=CC(=C1)C(=O)CC)OCC(CN2CCCC2)O.CCCOCC1=C(C=CC(=C1)C(=O)CC)OCC(CN2CCCC2)O.C(=CC(=O)O)C(=O)O
• Isomeric SMILES: CCCOCC1=C(C=CC(=C1)C(=O)CC)OCC(CN2CCCC2)O.CCCOCC1=C(C=CC(=C1)C(=O)CC)OCC(CN2CCCC2)O.C(=C/C(=O)O)\C(=O)O