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2-(1H-1,2,4-triazol-1-yl)benzene-1,3,5-tricarboxylic acid

Catalog Number
ACM2111824485-3
Product Name
2-(1H-1,2,4-triazol-1-yl)benzene-1,3,5-tricarboxylic acid
CAS
2111824-48-5
Category
Carboxylic acid nitrogen-containing mixed MOF ligand-multiple mixed ligand
Synonyms
1-(Triazol-1-yl)-2,4,6-benzene tricarboxylic acid
IUPAC Name
2-(1,2,4-triazol-1-yl)benzene-1,3,5-tricarboxylic acid
Molecular Weight
277.19
Molecular Formula
C11H7N3O6
InChI
InChI=1S/C11H7N3O6/c15-9(16)5-1-6(10(17)18)8(7(2-5)11(19)20)14-4-12-3-13-14/h1-4H,(H,15,16)(H,17,18)(H,19,20)
InChI Key
SIWBDAMXUPDDDK-UHFFFAOYSA-N
Purity
98%
Appearance
Yellowish solid
Complexity
404
Compound Is Canonicalized
Yes
Covalently-Bonded Unit Count
1
Defined Atom Stereocenter Count
0
Defined Bond Stereocenter Count
0
Exact Mass
277.03348495g/mol
Formal Charge
0
Heavy Atom Count
20
Hydrogen Bond Acceptor Count
8
Hydrogen Bond Donor Count
3
Isotope Atom Count
0
Monoisotopic Mass
277.03348495g/mol
Rotatable Bond Count
4
Topological Polar Surface Area
143Ų
Undefined Atom Stereocenter Count
0
Undefined Bond Stereocenter Count
0
XLogP3
0.2
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