1-Pyrrolidinecarboxylic acid, 3-(cyanomethyl)-, 1,1-dimethylethyl ester


Chemical Name: 1-Pyrrolidinecarboxylic acid, 3-(cyanomethyl)-, 1,1-dimethylethyl ester
CAS Number: 142253-46-1
Product Number: AG001I2G(AGN-PC-00FSU1)
Synonyms:
MDL No: MFCD06738464
Molecular Formula: C11H18N2O2
Molecular Weight: 210.2728

Identification/Properties


Computed Properties
Molecular Weight:
210.277g/mol
XLogP3:
1.2
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
3
Exact Mass:
210.137g/mol
Monoisotopic Mass:
210.137g/mol
Topological Polar Surface Area:
53.3A^2
Heavy Atom Count:
15
Formal Charge:
0
Complexity:
285
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

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NMR Spectrum


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