Home Carboxys 3-[(tert-butoxy)carbonyl]pyridine-2-carboxylic acid

3-[(tert-butoxy)carbonyl]pyridine-2-carboxylic acid

CAS No.:
1522373-21-2
Catalog Number:
AG01C2E6
Molecular Formula:
C11H13NO4
Molecular Weight:
223.2252
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Product Description
Catalog Number:
AG01C2E6
Chemical Name:
3-[(tert-butoxy)carbonyl]pyridine-2-carboxylic acid
CAS Number:
1522373-21-2
Molecular Formula:
C11H13NO4
Molecular Weight:
223.2252
MDL Number:
MFCD29762706
IUPAC Name:
3-[(2-methylpropan-2-yl)oxycarbonyl]pyridine-2-carboxylic acid
InChI:
InChI=1S/C11H13NO4/c1-11(2,3)16-10(15)7-5-4-6-12-8(7)9(13)14/h4-6H,1-3H3,(H,13,14)
InChI Key:
CJNOKBVLGGIMFJ-UHFFFAOYSA-N
SMILES:
O=C(c1cccnc1C(=O)O)OC(C)(C)C
Properties
Complexity:
282  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
223.084g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
223.228g/mol
Monoisotopic Mass:
223.084g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
76.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5  
Properties