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191338-94-0 | 3-Pyridineacetic acid, 4-[(2,2-dimethyl-1-oxopropyl)amino]-α-oxo-, ethyl ester
CAS No: 191338-94-0 Catalog No: AG002F67 MDL No:
Product Description
Catalog Number:
AG002F67
Chemical Name:
3-Pyridineacetic acid, 4-[(2,2-dimethyl-1-oxopropyl)amino]-α-oxo-, ethyl ester
CAS Number:
191338-94-0
Molecular Formula:
C14H18N2O4
Molecular Weight:
278.3037
IUPAC Name:
ethyl 2-[4-(2,2-dimethylpropanoylamino)pyridin-3-yl]-2-oxoacetate
InChI:
InChI=1S/C14H18N2O4/c1-5-20-12(18)11(17)9-8-15-7-6-10(9)16-13(19)14(2,3)4/h6-8H,5H2,1-4H3,(H,15,16,19)
InChI Key:
MAYHAJDLOHTAAA-UHFFFAOYSA-N
SMILES:
CCOC(=O)C(=O)c1cnccc1NC(=O)C(C)(C)C
Properties
Complexity:
387
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
278.127g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
278.308g/mol
Monoisotopic Mass:
278.127g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
85.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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