Name: Name:1-(carboxylatomethyl)-3-(carboxymethyl)-1H-1,3-benzodiazol-3-ium
Brand: Angene
SKU: AG00IHUX
Rating: 90 (10 reviews)

1-(carboxylatomethyl)-3-(carboxymethyl)-1H-1,3-benzodiazol-3-ium

CAS No.:

938058-97-0

Catalog Number:

AG00IHUX

Molecular Formula:

C11H10N2O4

Molecular Weight:

234.2081

Catalog Number:

AG00IHUX

Chemical Name:

1-(carboxylatomethyl)-3-(carboxymethyl)-1H-1,3-benzodiazol-3-ium

CAS Number:

938058-97-0

Molecular Formula:

C11H10N2O4

Molecular Weight:

234.2081

MDL Number:

MFCD03964559

IUPAC Name:

2-[3-(carboxymethyl)benzimidazol-1-ium-1-yl]acetate

InChI:

InChI=1S/C11H10N2O4/c14-10(15)5-12-7-13(6-11(16)17)9-4-2-1-3-8(9)12/h1-4,7H,5-6H2,(H-,14,15,16,17)

InChI Key:

OZJQCPQLYNUHIB-UHFFFAOYSA-N

SMILES:

[O-]C(=O)Cn1c[n+](c2c1cccc2)CC(=O)O

Complexity:

315

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

234.064g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

234.211g/mol

Monoisotopic Mass:

234.064g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

86.2A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.6