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Home > Pyridines > 1260677-33-5
1260677-33-5 | TERT-BUTYL 2-ACETYLPYRIDIN-3-YLCARBAMATE
CAS No: 1260677-33-5 Catalog No: AG01DSI6 MDL No:MFCD16036518
Product Description
Catalog Number:
AG01DSI6
Chemical Name:
TERT-BUTYL 2-ACETYLPYRIDIN-3-YLCARBAMATE
CAS Number:
1260677-33-5
Molecular Formula:
C12H16N2O3
Molecular Weight:
236.2670
MDL Number:
MFCD16036518
IUPAC Name:
tert-butyl N-(2-acetylpyridin-3-yl)carbamate
InChI:
InChI=1S/C12H16N2O3/c1-8(15)10-9(6-5-7-13-10)14-11(16)17-12(2,3)4/h5-7H,1-4H3,(H,14,16)
InChI Key:
FVIVWZJAJZDYSZ-UHFFFAOYSA-N
SMILES:
O=C(OC(C)(C)C)Nc1cccnc1C(=O)C
Properties
Complexity:
297
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:
4
Topological Polar Surface Area:
68.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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