CAS
90556-28-8 Purity
96%
90556-28-8 Purity
96%
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3-(2H-1,2,3-Triazol-2-yl)benzoic acid
CAS
90556-58-4
Catalog Number
ACM90556584
Category
Other Products
Molecular Weight
189.170780 [g/mol]
Molecular Formula
C9H7N3O2
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Specification
Synonyms
3-(2H-1,2,3-triazol-2-yl)Benzoic acid, 90556-58-4, SCHEMBL941433, ZOOGHLMMLTWKGS-UHFFFAOYSA-N, AKOS022794941, DB-078705, Benzoic acid, 3-(2H-1,2,3-triazol-2-yl)-
IUPAC Name
3-(triazol-2-yl)benzoic acid
Canonical SMILES
C1=CC(=CC(=C1)N2N=CC=N2)C(=O)O
InChI Key
ZOOGHLMMLTWKGS-UHFFFAOYSA-N
Exact Mass
189.05400
H-Bond Acceptor
4
H-Bond Donor
1
What is the molecular formula of 3-(2H-1,2,3-Triazol-2-yl)benzoic acid?
The molecular formula is C9H7N3O2.
What are the synonyms for 3-(2H-1,2,3-Triazol-2-yl)benzoic acid?
The synonyms are SCHEMBL941433 and ZOOGHLMMLTWKGS-UHFFFAOYSA-N.
What is the molecular weight of 3-(2H-1,2,3-Triazol-2-yl)benzoic acid?
The molecular weight is 189.17 g/mol.
What is the IUPAC name of 3-(2H-1,2,3-Triazol-2-yl)benzoic acid?
The IUPAC name is 3-(triazol-2-yl)benzoic acid.
What is the InChI of 3-(2H-1,2,3-Triazol-2-yl)benzoic acid?
The InChI is InChI=1S/C9H7N3O2/c13-9(14)7-2-1-3-8(6-7)12-10-4-5-11-12/h1-6H,(H,13,14).
What is the InChIKey of 3-(2H-1,2,3-Triazol-2-yl)benzoic acid?
The InChIKey is ZOOGHLMMLTWKGS-UHFFFAOYSA-N.
What is the canonical SMILES of 3-(2H-1,2,3-Triazol-2-yl)benzoic acid?
The canonical SMILES is C1=CC(=CC(=C1)N2N=CC=N2)C(=O)O.
What is the XLogP3-AA value of 3-(2H-1,2,3-Triazol-2-yl)benzoic acid?
The XLogP3-AA value is 1.4.
How many hydrogen bond donor counts does 3-(2H-1,2,3-Triazol-2-yl)benzoic acid have?
It has 1 hydrogen bond donor count.
How many hydrogen bond acceptor counts does 3-(2H-1,2,3-Triazol-2-yl)benzoic acid have?
It has 4 hydrogen bond acceptor counts.
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