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231958-14-8 | 3-Pyridinecarboxylic acid, 6-[[(1,1-dimethylethoxy)carbonyl]amino]-
CAS No: 231958-14-8 Catalog No: AG002MH2 MDL No:MFCD02682388
Product Description
Catalog Number:
AG002MH2
Chemical Name:
3-Pyridinecarboxylic acid, 6-[[(1,1-dimethylethoxy)carbonyl]amino]-
CAS Number:
231958-14-8
Molecular Formula:
C11H14N2O4
Molecular Weight:
238.2399
MDL Number:
MFCD02682388
IUPAC Name:
6-[(2-methylpropan-2-yl)oxycarbonylamino]pyridine-3-carboxylic acid
InChI:
InChI=1S/C11H14N2O4/c1-11(2,3)17-10(16)13-8-5-4-7(6-12-8)9(14)15/h4-6H,1-3H3,(H,14,15)(H,12,13,16)
InChI Key:
STXYMSGJQJBIHL-UHFFFAOYSA-N
SMILES:
O=C(OC(C)(C)C)Nc1ccc(cn1)C(=O)O
Properties
Complexity:
298
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
238.095g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
238.243g/mol
Monoisotopic Mass:
238.095g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
88.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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