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Home > Pyridines > 1261974-19-9
1261974-19-9 | Carbamic acid, N-[3-(1,6-dihydro-6-oxo-3-pyridinyl)phenyl]-, 1,1-dimethylethyl ester
CAS No: 1261974-19-9 Catalog No: AG000S9X MDL No:MFCD18312548
Product Description
Catalog Number:
AG000S9X
Chemical Name:
Carbamic acid, N-[3-(1,6-dihydro-6-oxo-3-pyridinyl)phenyl]-, 1,1-dimethylethyl ester
CAS Number:
1261974-19-9
Molecular Formula:
C16H18N2O3
Molecular Weight:
286.3257
MDL Number:
MFCD18312548
IUPAC Name:
tert-butyl N-[3-(6-oxo-1H-pyridin-3-yl)phenyl]carbamate
InChI:
InChI=1S/C16H18N2O3/c1-16(2,3)21-15(20)18-13-6-4-5-11(9-13)12-7-8-14(19)17-10-12/h4-10H,1-3H3,(H,17,19)(H,18,20)
InChI Key:
DLOAGQHHBWENCW-UHFFFAOYSA-N
SMILES:
O=C(OC(C)(C)C)Nc1cccc(c1)c1ccc(=O)[nH]c1
Properties
Complexity:
474
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
286.132g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
286.331g/mol
Monoisotopic Mass:
286.132g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
67.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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