Name: Name:1-(2-carboxyethyl)-5-hydroxy-2-(hydroxymethyl)pyridin-1-ium
Brand: Angene
SKU: AG01DWR4
Rating: 90 (10 reviews)

1-(2-carboxyethyl)-5-hydroxy-2-(hydroxymethyl)pyridin-1-ium

CAS No.:

870133-50-9

Catalog Number:

AG01DWR4

Molecular Formula:

C9H11NO4

Molecular Weight:

197.1879

Catalog Number:

AG01DWR4

Chemical Name:

1-(2-carboxyethyl)-5-hydroxy-2-(hydroxymethyl)pyridin-1-ium

CAS Number:

870133-50-9

Molecular Formula:

C9H11NO4

Molecular Weight:

197.1879

MDL Number:

MFCD31665553

IUPAC Name:

3-[5-hydroxy-2-(hydroxymethyl)pyridin-1-ium-1-yl]propanoate

InChI:

InChI=1S/C9H11NO4/c11-6-7-1-2-8(12)5-10(7)4-3-9(13)14/h1-2,5,11H,3-4,6H2,(H-,12,13,14)

InChI Key:

QBQINQFLFFWDOV-UHFFFAOYSA-N

SMILES:

OCc1ccc(c[n+]1CCC(=O)[O-])O

Complexity:

192

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

197.069g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

197.19g/mol

Monoisotopic Mass:

197.069g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

84.5A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

-0.1