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172478-10-3 | (R);-Ethyl 1-benzylpyrrolidine-2-carboxylate
CAS No: 172478-10-3 Catalog No: AG003CB7 MDL No:
Product Description
Catalog Number:
AG003CB7
Chemical Name:
(R);-Ethyl 1-benzylpyrrolidine-2-carboxylate
CAS Number:
172478-10-3
Molecular Formula:
C14H19NO2
Molecular Weight:
233.3062
IUPAC Name:
ethyl (2R)-1-benzylpyrrolidine-2-carboxylate
InChI:
InChI=1S/C14H19NO2/c1-2-17-14(16)13-9-6-10-15(13)11-12-7-4-3-5-8-12/h3-5,7-8,13H,2,6,9-11H2,1H3/t13-/m1/s1
InChI Key:
FLASAKCDOWUBQX-CYBMUJFWSA-N
SMILES:
CCOC(=O)[C@H]1CCCN1Cc1ccccc1
Properties
Complexity:
249
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
233.142g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
233.311g/mol
Monoisotopic Mass:
233.142g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
29.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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