Home Carboxys 1-[(tert-butoxy)carbonyl]-1H,2H,3H-pyrrolo[2,3-b]pyridine-4-carboxylic acid

1-[(tert-butoxy)carbonyl]-1H,2H,3H-pyrrolo[2,3-b]pyridine-4-carboxylic acid

CAS No.:
1781907-25-2
Catalog Number:
AG01C7CZ
Molecular Formula:
C13H16N2O4
Molecular Weight:
264.2771
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Product Description
Catalog Number:
AG01C7CZ
Chemical Name:
1-[(tert-butoxy)carbonyl]-1H,2H,3H-pyrrolo[2,3-b]pyridine-4-carboxylic acid
CAS Number:
1781907-25-2
Molecular Formula:
C13H16N2O4
Molecular Weight:
264.2771
MDL Number:
MFCD28639621
IUPAC Name:
1-[(2-methylpropan-2-yl)oxycarbonyl]-2,3-dihydropyrrolo[2,3-b]pyridine-4-carboxylic acid
InChI:
InChI=1S/C13H16N2O4/c1-13(2,3)19-12(18)15-7-5-8-9(11(16)17)4-6-14-10(8)15/h4,6H,5,7H2,1-3H3,(H,16,17)
InChI Key:
VQAWROGBOVCGOM-UHFFFAOYSA-N
SMILES:
O=C(N1CCc2c1nccc2C(=O)O)OC(C)(C)C
Properties
Complexity:
377  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
264.111g/mol
Formal Charge:
0
Heavy Atom Count:
19  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
264.281g/mol
Monoisotopic Mass:
264.111g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
79.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5  
Properties