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188846-99-3 | 1-Pyrrolidinecarboxylic acid, 3-cyano-, phenylmethyl ester
CAS No: 188846-99-3 Catalog No: AG002HEW MDL No:MFCD06658395
Product Description
Catalog Number:
AG002HEW
Chemical Name:
1-Pyrrolidinecarboxylic acid, 3-cyano-, phenylmethyl ester
CAS Number:
188846-99-3
Molecular Formula:
C13H14N2O2
Molecular Weight:
230.2625
MDL Number:
MFCD06658395
IUPAC Name:
benzyl 3-cyanopyrrolidine-1-carboxylate
InChI:
InChI=1S/C13H14N2O2/c14-8-12-6-7-15(9-12)13(16)17-10-11-4-2-1-3-5-11/h1-5,12H,6-7,9-10H2
InChI Key:
WNULFIVJZGZMEY-UHFFFAOYSA-N
SMILES:
N#CC1CCN(C1)C(=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:
1.5
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