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Home > Pyridines > 1798717-56-2
1798717-56-2 | tert-butyl N-[3-oxo-2-(pyridin-3-ylmethyl)propyl]carbamate
CAS No: 1798717-56-2 Catalog No: AG01BEW6 MDL No:MFCD28063805
Product Description
Catalog Number:
AG01BEW6
Chemical Name:
tert-butyl N-[3-oxo-2-(pyridin-3-ylmethyl)propyl]carbamate
CAS Number:
1798717-56-2
Molecular Formula:
C14H20N2O3
Molecular Weight:
264.3202
MDL Number:
MFCD28063805
IUPAC Name:
tert-butyl N-(2-formyl-3-pyridin-3-ylpropyl)carbamate
InChI:
InChI=1S/C14H20N2O3/c1-14(2,3)19-13(18)16-9-12(10-17)7-11-5-4-6-15-8-11/h4-6,8,10,12H,7,9H2,1-3H3,(H,16,18)
InChI Key:
NNCHYSGRAHZZTF-UHFFFAOYSA-N
SMILES:
O=CC(Cc1cccnc1)CNC(=O)OC(C)(C)C
Properties
Complexity:
300
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
264.147g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
264.325g/mol
Monoisotopic Mass:
264.147g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
68.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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