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Home > Pyridines > 1394935-52-4
1394935-52-4 | Carbamic acid, N-(1,6-dihydro-6-oxo-3-pyridinyl)-, 1,1-dimethylethyl ester
CAS No: 1394935-52-4 Catalog No: AG001B4F MDL No:MFCD27986955
Product Description
Catalog Number:
AG001B4F
Chemical Name:
Carbamic acid, N-(1,6-dihydro-6-oxo-3-pyridinyl)-, 1,1-dimethylethyl ester
CAS Number:
1394935-52-4
Molecular Formula:
C10H14N2O3
Molecular Weight:
210.2298
MDL Number:
MFCD27986955
IUPAC Name:
tert-butyl N-(6-oxo-1H-pyridin-3-yl)carbamate
InChI:
InChI=1S/C10H14N2O3/c1-10(2,3)15-9(14)12-7-4-5-8(13)11-6-7/h4-6H,1-3H3,(H,11,13)(H,12,14)
InChI Key:
YISSDDUTPCTXBW-UHFFFAOYSA-N
SMILES:
O=C(OC(C)(C)C)Nc1ccc(=O)[nH]c1
Properties
Complexity:
337
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
210.1g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
210.233g/mol
Monoisotopic Mass:
210.1g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
67.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5
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