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Home > Pyridines > 1803610-98-1
1803610-98-1 | 1-[(tert-butoxy)carbonyl]-1H-pyrrolo[3,2-c]pyridin-5-ium-5-olate
CAS No: 1803610-98-1 Catalog No: AG01B91N MDL No:MFCD28397386
Product Description
Catalog Number:
AG01B91N
Chemical Name:
1-[(tert-butoxy)carbonyl]-1H-pyrrolo[3,2-c]pyridin-5-ium-5-olate
CAS Number:
1803610-98-1
Molecular Formula:
C12H14N2O3
Molecular Weight:
234.2512
MDL Number:
MFCD28397386
IUPAC Name:
tert-butyl 5-oxidopyrrolo[3,2-c]pyridin-5-ium-1-carboxylate
InChI:
InChI=1S/C12H14N2O3/c1-12(2,3)17-11(15)14-7-4-9-8-13(16)6-5-10(9)14/h4-8H,1-3H3
InChI Key:
HRUZLVGCWPFKQF-UHFFFAOYSA-N
SMILES:
[O-][n+]1ccc2c(c1)ccn2C(=O)OC(C)(C)C
Properties
Complexity:
301
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
234.1g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
234.255g/mol
Monoisotopic Mass:
234.1g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
56.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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