2-Pyrrolidinone, 3-(1,3-benzodioxol-5-ylmethylene)-


Chemical Name: 2-Pyrrolidinone, 3-(1,3-benzodioxol-5-ylmethylene)-
CAS Number: 1859-42-3
Product Number: AG00JNR5(AGN-PC-015JSI)
Synonyms:
MDL No:
Molecular Formula: C12H11NO3
Molecular Weight: 217.2206

Identification/Properties


Computed Properties
Molecular Weight:
217.224g/mol
XLogP3:
1.5
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
1
Exact Mass:
217.074g/mol
Monoisotopic Mass:
217.074g/mol
Topological Polar Surface Area:
47.6A^2
Heavy Atom Count:
16
Formal Charge:
0
Complexity:
326
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

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NMR Spectrum


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