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119020-06-3 | 1-Pyrrolidinecarboxylic acid, 2-cyano-, phenylmethyl ester
CAS No: 119020-06-3 Catalog No: AG000P2R MDL No:MFCD04115334
Product Description
Catalog Number:
AG000P2R
Chemical Name:
1-Pyrrolidinecarboxylic acid, 2-cyano-, phenylmethyl ester
CAS Number:
119020-06-3
Molecular Formula:
C13H14N2O2
Molecular Weight:
230.2625
MDL Number:
MFCD04115334
IUPAC Name:
benzyl 2-cyanopyrrolidine-1-carboxylate
InChI:
InChI=1S/C13H14N2O2/c14-9-12-7-4-8-15(12)13(16)17-10-11-5-2-1-3-6-11/h1-3,5-6,12H,4,7-8,10H2
InChI Key:
AUVGQGIWVNDVSL-UHFFFAOYSA-N
SMILES:
N#CC1CCCN1C(=O)OCc1ccccc1
Properties
Complexity:
315
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
230.106g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
230.267g/mol
Monoisotopic Mass:
230.106g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
53.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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