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125867-31-4 | 3-Pyridinecarboxylic acid, 4-[(2,2-dimethyl-1-oxopropyl)amino]-
CAS No: 125867-31-4 Catalog No: AG000OWM MDL No:MFCD03407344
Product Description
Catalog Number:
AG000OWM
Chemical Name:
3-Pyridinecarboxylic acid, 4-[(2,2-dimethyl-1-oxopropyl)amino]-
CAS Number:
125867-31-4
Molecular Formula:
C11H14N2O3
Molecular Weight:
222.2405
MDL Number:
MFCD03407344
IUPAC Name:
4-(2,2-dimethylpropanoylamino)pyridine-3-carboxylic acid
InChI:
InChI=1S/C11H14N2O3/c1-11(2,3)10(16)13-8-4-5-12-6-7(8)9(14)15/h4-6H,1-3H3,(H,14,15)(H,12,13,16)
InChI Key:
UHGXHDOYHCDENE-UHFFFAOYSA-N
SMILES:
O=C(C(C)(C)C)Nc1ccncc1C(=O)O
Properties
Complexity:
283
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
222.1g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
222.244g/mol
Monoisotopic Mass:
222.1g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
79.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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