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2,2':6',2''-Terpyridine-4'-carboxylic Acid

Catalog Number
ACM148332369-2
Product Name
2,2':6',2''-Terpyridine-4'-carboxylic Acid
Structure
CAS
148332-36-9
Category
Customizable MOF Linkers
IUPAC Name
2,6-dipyridin-2-ylpyridine-4-carboxylic acid
Molecular Weight
277.28
Molecular Formula
C16H11N3O2
Canonical SMILES
C1=CC=NC(=C1)C2=CC(=CC(=N2)C3=CC=CC=N3)C(=O)O
InChI
InChI=1S/C16H11N3O2/c20-16(21)11-9-14(12-5-1-3-7-17-12)19-15(10-11)13-6-2-4-8-18-13/h1-10H,(H,20,21)
InChI Key
ZYTWXMBGOUJDHJ-UHFFFAOYSA-N
Melting Point
290 °C
Purity
>98.0%GCT
Appearance
White to Light yellow powder to crystal
Complexity
337
Compound Is Canonicalized
Yes
Covalently-Bonded Unit Count
1
Defined Atom Stereocenter Count
0
Defined Bond Stereocenter Count
0
Exact Mass
277.085126602g/mol
Formal Charge
0
Hazard Statements
H315 : Causes skin irritation.H319 : Causes serious eye irritation.
Heavy Atom Count
21
Hydrogen Bond Acceptor Count
5
Hydrogen Bond Donor Count
1
Isotope Atom Count
0
MDL Number
MFCD04114290
Monoisotopic Mass
277.085126602g/mol
Precautionary Statements
P264 : Wash skin thoroughly after handling.P280 : Wear protective gloves/ eye protection/ face protection.P337 + P313 : If eye irritation persists: Get medical advice/ attention.P305 + P351 + P338 : IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing.P302 + P352 : IF ON SKIN: Wash with plenty of soap and water.P332 + P313 : If skin irritation occurs: Get medical advice/ attention.P362 : Take off contaminated clothing and wash before reuse.
Rotatable Bond Count
3
Signal Word
Warning
Topological Polar Surface Area
76Ų
Undefined Atom Stereocenter Count
0
Undefined Bond Stereocenter Count
0
XLogP3
1.9
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