Name: Name:1-[(tert-butoxy)carbonyl]-1H-pyrrolo[3,2-c]pyridin-5-ium-5-olate
Brand: Angene
SKU: AG01B91N
Rating: 90 (10 reviews)

1-[(tert-butoxy)carbonyl]-1H-pyrrolo[3,2-c]pyridin-5-ium-5-olate

CAS No.:

1803610-98-1

Catalog Number:

AG01B91N

Molecular Formula:

C12H14N2O3

Molecular Weight:

234.2512

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

Complexity:

301

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

234.1g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

234.255g/mol

Monoisotopic Mass:

234.1g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

56.7A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.2