Name: Name:2-(5-hydroxy-2-(hydroxymethyl)pyridin-1-ium-1-yl)acetate
Brand: Angene
SKU: AG01DWQL
Rating: 90 (10 reviews)

2-(5-hydroxy-2-(hydroxymethyl)pyridin-1-ium-1-yl)acetate

CAS No.:

861221-32-1

Catalog Number:

AG01DWQL

Molecular Formula:

C8H9NO4

Molecular Weight:

183.1614

Catalog Number:

AG01DWQL

Chemical Name:

2-(5-hydroxy-2-(hydroxymethyl)pyridin-1-ium-1-yl)acetate

CAS Number:

861221-32-1

Molecular Formula:

C8H9NO4

Molecular Weight:

183.1614

MDL Number:

MFCD15832892

IUPAC Name:

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

InChI:

InChI=1S/C8H9NO4/c10-5-6-1-2-7(11)3-9(6)4-8(12)13/h1-3,10H,4-5H2,(H-,11,12,13)

InChI Key:

NXPIAMKLWFQNSB-UHFFFAOYSA-N

SMILES:

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

Complexity:

180

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

183.053g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

183.163g/mol

Monoisotopic Mass:

183.053g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

84.5A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

0.1