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28311-28-6 | Ethyl 2-oxo-4-(pyridin-3-yl)pyrrolidine-3-carboxylate
CAS No: 28311-28-6 Catalog No: AG01F8C0 MDL No:
Product Description
Catalog Number:
AG01F8C0
Chemical Name:
Ethyl 2-oxo-4-(pyridin-3-yl)pyrrolidine-3-carboxylate
CAS Number:
28311-28-6
Molecular Formula:
C12H14N2O3
Molecular Weight:
234.2512
IUPAC Name:
ethyl 2-oxo-4-pyridin-3-ylpyrrolidine-3-carboxylate
InChI:
InChI=1S/C12H14N2O3/c1-2-17-12(16)10-9(7-14-11(10)15)8-4-3-5-13-6-8/h3-6,9-10H,2,7H2,1H3,(H,14,15)
InChI Key:
RBOHCEVYPSQUPJ-UHFFFAOYSA-N
SMILES:
CCOC(=O)C1C(=O)NCC1c1cccnc1
Properties
Complexity:
306
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
234.1g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
234.255g/mol
Monoisotopic Mass:
234.1g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
68.3A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
0.4
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