1-Pyrrolidinecarboxylic acid, 3-(hydroxymethyl)-, phenylmethyl ester,(3S)-


Chemical Name: 1-Pyrrolidinecarboxylic acid, 3-(hydroxymethyl)-, phenylmethyl ester,(3S)-
CAS Number: 124391-76-0
Product Number: AG000LXQ(AGN-PC-0PHTBP)
Synonyms:
MDL No: MFCD06858680
Molecular Formula: C13H17NO3
Molecular Weight: 235.2790

Identification/Properties


Computed Properties
Molecular Weight:
235.283g/mol
XLogP3:
1.3
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
4
Exact Mass:
235.121g/mol
Monoisotopic Mass:
235.121g/mol
Topological Polar Surface Area:
49.8A^2
Heavy Atom Count:
17
Formal Charge:
0
Complexity:
251
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
1
Undefined Atom Stereocenter Count:
0
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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