2-Amino-1,4-benzenedisulfonic acid

CAS

98-44-2

Catalog Number

ACM98442

Category

Other Products

Molecular Weight

253.24

Molecular Formula

C₆H₇NO₆S₂

MSDS COA Spec Sheet

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What is the molecular formula of 2-Amino-1,4-benzenedisulfonic acid?

The molecular formula is C6H7NO6S2.

What is the molecular weight of 2-Amino-1,4-benzenedisulfonic acid?

The molecular weight is 253.3 g/mol.

What is the IUPAC name of 2-Amino-1,4-benzenedisulfonic acid?

The IUPAC name is 2-aminobenzene-1,4-disulfonic acid.

What is the InChI of 2-Amino-1,4-benzenedisulfonic acid?

The InChI is InChI=1S/C6H7NO6S2/c7-5-3-4(14(8,9)10)1-2-6(5)15(11,12)13/h1-3H,7H2,(H,8,9,10)(H,11,12,13).

What is the InChIKey of 2-Amino-1,4-benzenedisulfonic acid?

The InChIKey is LDCCBULMAFILCT-UHFFFAOYSA-N.

What is the canonical SMILES of 2-Amino-1,4-benzenedisulfonic acid?

The canonical SMILES is C1=CC(=C(C=C1S(=O)(=O)O)N)S(=O)(=O)O.

What is the CAS number of 2-Amino-1,4-benzenedisulfonic acid?

The CAS number is 98-44-2.

What is the European Community (EC) number of 2-Amino-1,4-benzenedisulfonic acid?

The European Community (EC) number is 202-669-6.

What is the ChEMBL ID of 2-Amino-1,4-benzenedisulfonic acid?

The ChEMBL ID is CHEMBL3184682.

What is the molecular weight, XLogP3, hydrogen bond donor count, hydrogen bond acceptor count, rotatable bond count, exact mass, monoisotopic mass, topological polar surface area, heavy atom count, formal charge, complexity, isotope atom count, defined atom stereocenter count, undefined atom stereocenter count, defined bond stereocenter count, undefined bond stereocenter count, and covalently-bonded unit count of 2-Amino-1,4-benzenedisulfonic acid?

The molecular weight is 253.3 g/mol, XLogP3 is -0.2, hydrogen bond donor count is 3, hydrogen bond acceptor count is 7, rotatable bond count is 2, exact mass is 252.97147929 g/mol, monoisotopic mass is 252.97147929 g/mol, topological polar surface area is 152 ?2, heavy atom count is 15, formal charge is 0, complexity is 416, isotope atom count is 0, defined atom stereocenter count is 0, undefined atom stereocenter count is 0, defined bond stereocenter count is 0, undefined bond stereocenter count is 0, and covalently-bonded unit count is 1.

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