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1261937-41-0 | 2-Pyridinecarboxylic acid, 3-[4-[[(1,1-dimethylethoxy)carbonyl]amino]phenyl]-
CAS No: 1261937-41-0 Catalog No: AG000S7G MDL No:MFCD18318705
Product Description
Catalog Number:
AG000S7G
Chemical Name:
2-Pyridinecarboxylic acid, 3-[4-[[(1,1-dimethylethoxy)carbonyl]amino]phenyl]-
CAS Number:
1261937-41-0
Molecular Formula:
C17H18N2O4
Molecular Weight:
314.3358
MDL Number:
MFCD18318705
IUPAC Name:
3-[4-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]pyridine-2-carboxylic acid
InChI:
InChI=1S/C17H18N2O4/c1-17(2,3)23-16(22)19-12-8-6-11(7-9-12)13-5-4-10-18-14(13)15(20)21/h4-10H,1-3H3,(H,19,22)(H,20,21)
InChI Key:
PGGVCDIQGVFMLF-UHFFFAOYSA-N
SMILES:
O=C(Nc1ccc(cc1)c1cccnc1C(=O)O)OC(C)(C)C
Properties
Complexity:
425
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
314.127g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
314.341g/mol
Monoisotopic Mass:
314.127g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
88.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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