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881733-92-2 | 1-Pyrrolidinecarboxylic acid, 2-(2S)-oxiranyl-, phenylmethyl ester, (2S)-
CAS No: 881733-92-2 Catalog No: AG004FJ2 MDL No:
Product Description
Catalog Number:
AG004FJ2
Chemical Name:
1-Pyrrolidinecarboxylic acid, 2-(2S)-oxiranyl-, phenylmethyl ester, (2S)-
CAS Number:
881733-92-2
Molecular Formula:
C14H17NO3
Molecular Weight:
247.2897
IUPAC Name:
benzyl (2S)-2-[(2S)-oxiran-2-yl]pyrrolidine-1-carboxylate
InChI:
InChI=1S/C14H17NO3/c16-14(18-9-11-5-2-1-3-6-11)15-8-4-7-12(15)13-10-17-13/h1-3,5-6,12-13H,4,7-10H2/t12-,13+/m0/s1
InChI Key:
VQVQKTLIXHDXCW-QWHCGFSZSA-N
SMILES:
O=C(N1CCC[C@H]1[C@H]1CO1)OCc1ccccc1
Properties
Complexity:
301
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
247.121g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
247.294g/mol
Monoisotopic Mass:
247.121g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
42.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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