1,2,3-Triazole-4,5-dicarboxylic acid

Catalog Number	ACM4546956-2
CAS	4546-95-6
Structure
Synonyms	1H-1,2,3-Triazole-4,5-Dicarboxylic Acid; 2H-triazole-4,5-dicarboxylic acid
IUPAC Name	2H-triazole-4,5-dicarboxylic acid
Molecular Weight	157.08
Molecular Formula	C4H3N3O4
InChI	InChI=1S/C4H3N3O4/c8-3(9)1-2(4(10)11)6-7-5-1/h(H,8,9)(H,10,11)(H,5,6,7)
InChI Key	TZFOEYRGARRRGO-UHFFFAOYSA-N
Purity	97%
Appearance	White solid
Complexity	174
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Exact Mass	157.01235559g/mol
Formal Charge	0
Heavy Atom Count	11
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	3
Monoisotopic Mass	157.01235559g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	116Ų

Q&A

What is the molecular formula of 1,2,3-Triazole-4,5-dicarboxylic acid?

The molecular formula of 1,2,3-Triazole-4,5-dicarboxylic acid is C4H3N3O4.

What is the molecular weight of 1,2,3-Triazole-4,5-dicarboxylic acid?

The molecular weight of 1,2,3-Triazole-4,5-dicarboxylic acid is 157.08 g/mol.

What is the computed IUPAC name of 1,2,3-Triazole-4,5-dicarboxylic acid?

The computed IUPAC name of 1,2,3-Triazole-4,5-dicarboxylic acid is 2H-triazole-4,5-dicarboxylic acid.

What is the InChI representation of 1,2,3-Triazole-4,5-dicarboxylic acid?

The InChI representation of 1,2,3-Triazole-4,5-dicarboxylic acid is InChI=1S/C4H3N3O4/c8-3(9)1-2(4(10)11)6-7-5-1/h(H,8,9)(H,10,11)(H,5,6,7).

What is the InChIKey of 1,2,3-Triazole-4,5-dicarboxylic acid?

The InChIKey of 1,2,3-Triazole-4,5-dicarboxylic acid is TZFOEYRGARRRGO-UHFFFAOYSA-N.

What is the canonical SMILES representation of 1,2,3-Triazole-4,5-dicarboxylic acid?

The canonical SMILES representation of 1,2,3-Triazole-4,5-dicarboxylic acid is C1(=NNN=C1C(=O)O).

What is the CAS number of 1,2,3-Triazole-4,5-dicarboxylic acid?

The CAS number of 1,2,3-Triazole-4,5-dicarboxylic acid is 4546-95-6.

What is the EC number of 1,2,3-Triazole-4,5-dicarboxylic acid?

The EC number of 1,2,3-Triazole-4,5-dicarboxylic acid is 630-615-5.

What is the ChEMBL ID of 1,2,3-Triazole-4,5-dicarboxylic acid?

The ChEMBL ID of 1,2,3-Triazole-4,5-dicarboxylic acid is CHEMBL324653.

What is the hydrogen bond donor count of 1,2,3-Triazole-4,5-dicarboxylic acid?

The hydrogen bond donor count of 1,2,3-Triazole-4,5-dicarboxylic acid is 3.