1-Pyrrolidinecarboxaldehyde, 3-(1,3-benzodioxol-5-ylmethylene)-2-oxo-


Chemical Name: 1-Pyrrolidinecarboxaldehyde, 3-(1,3-benzodioxol-5-ylmethylene)-2-oxo-
CAS Number: 218924-25-5
Product Number: AG007OUM(AGN-PC-04TNR0)
Synonyms:
MDL No:
Molecular Formula: C13H11NO4
Molecular Weight: 245.2307

Identification/Properties


Computed Properties
Molecular Weight:
245.234g/mol
XLogP3:
1.5
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
1
Exact Mass:
245.069g/mol
Monoisotopic Mass:
245.069g/mol
Topological Polar Surface Area:
55.8A^2
Heavy Atom Count:
18
Formal Charge:
0
Complexity:
393
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

Safety Information


GHS Pictogram:
Signal Word:
Warning
UN#:
-
Hazard Statements:
H302
Precautionary Statements:
P280-P305+P351+P338
Class:
-
Packing Group:
-

NMR Spectrum


Other Analytical Data


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