Home Carboxys 6-[(2,2-dimethylpropyl)carbamoyl]pyridine-3-carboxylic acid

6-[(2,2-dimethylpropyl)carbamoyl]pyridine-3-carboxylic acid

CAS No.:
1291982-18-7
Catalog Number:
AG01AKK7
Molecular Formula:
C12H16N2O3
Molecular Weight:
236.2670
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Product Description
Catalog Number:
AG01AKK7
Chemical Name:
6-[(2,2-dimethylpropyl)carbamoyl]pyridine-3-carboxylic acid
CAS Number:
1291982-18-7
Molecular Formula:
C12H16N2O3
Molecular Weight:
236.2670
MDL Number:
MFCD13216858
IUPAC Name:
6-(2,2-dimethylpropylcarbamoyl)pyridine-3-carboxylic acid
InChI:
InChI=1S/C12H16N2O3/c1-12(2,3)7-14-10(15)9-5-4-8(6-13-9)11(16)17/h4-6H,7H2,1-3H3,(H,14,15)(H,16,17)
InChI Key:
AFISCLUAPGDWAC-UHFFFAOYSA-N
SMILES:
O=C(c1ccc(cn1)C(=O)O)NCC(C)(C)C
Properties
Complexity:
297  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
236.116g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
236.271g/mol
Monoisotopic Mass:
236.116g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
79.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7  
Properties