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1256337-01-5 | 3-Pyridineacetic acid, 6-[[(1,1-dimethylethoxy)carbonyl]amino]-, ethyl ester
CAS No: 1256337-01-5 Catalog No: AG000NZB MDL No:
Product Description
Catalog Number:
AG000NZB
Chemical Name:
3-Pyridineacetic acid, 6-[[(1,1-dimethylethoxy)carbonyl]amino]-, ethyl ester
CAS Number:
1256337-01-5
Molecular Formula:
C14H20N2O4
Molecular Weight:
280.3196
IUPAC Name:
ethyl 2-[6-[(2-methylpropan-2-yl)oxycarbonylamino]pyridin-3-yl]acetate
InChI:
InChI=1S/C14H20N2O4/c1-5-19-12(17)8-10-6-7-11(15-9-10)16-13(18)20-14(2,3)4/h6-7,9H,5,8H2,1-4H3,(H,15,16,18)
InChI Key:
BYJIMTMZSFQYIG-UHFFFAOYSA-N
SMILES:
CCOC(=O)Cc1ccc(nc1)NC(=O)OC(C)(C)C
Properties
Complexity:
339
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
280.142g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
280.324g/mol
Monoisotopic Mass:
280.142g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
77.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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