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473693-42-4 | (2-OXO-2-PYRIDIN-3-YL-ETHYL)-CARBAMIC ACID TERT-BUTYL ESTER
CAS No: 473693-42-4 Catalog No: AG01DSI3 MDL No:
Product Description
Catalog Number:
AG01DSI3
Chemical Name:
(2-OXO-2-PYRIDIN-3-YL-ETHYL)-CARBAMIC ACID TERT-BUTYL ESTER
CAS Number:
473693-42-4
Molecular Formula:
C12H16N2O3
Molecular Weight:
236.2670
IUPAC Name:
tert-butyl N-(2-oxo-2-pyridin-3-ylethyl)carbamate
InChI:
InChI=1S/C12H16N2O3/c1-12(2,3)17-11(16)14-8-10(15)9-5-4-6-13-7-9/h4-7H,8H2,1-3H3,(H,14,16)
InChI Key:
WSFAFVYGSMIUCY-UHFFFAOYSA-N
SMILES:
O=C(OC(C)(C)C)NCC(=O)c1cccnc1
Properties
Complexity:
284
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
236.116g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
236.271g/mol
Monoisotopic Mass:
236.116g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
68.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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