CAS 432025-97-3 5-Ethynyl-1,3-benzenedicarboxylic acid

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5-Ethynyl-1,3-benzenedicarboxylic acid

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Catalog Number

ACM432025973

CAS Number

432025-97-3

Product Name

5-Ethynyl-1,3-benzenedicarboxylic acid

Category

Hydrogen Storage Materials; Metal Organic Frameworks (MOFs)

Synonyms

5-Ethynylisophthalicacid

Description

MOF linker used for the synthesis of MOFs with pores which can be further functionalized by click chemistry

IUPAC Name

5-ethynylbenzene-1,3-dicarboxylic acid

Molecular Weight

190.15

Molecular Formula

(HO)2C6H2-1,4-(CO2H)2

Canonical SMILES

C#CC1=CC(=CC(=C1)C(=O)O)C(=O)O

InChI

1S/C10H6O4/c1-2-6-3-7(9(11)12)5-8(4-6)10(13)14/h1,3-5H,(H,11,12)(H,13,14)

InChI Key

XKEUZQRIANAGPB-UHFFFAOYSA-N

Melting Point

245-255 °C

Flash Point

Not applicable

Purity

99% (HPLC)

Appearance

powder

Storage

2-8°C

Complexity

277

Covalently-Bonded Unit Count

Exact Mass

190.026609g/mol

Formal Charge

Heavy Atom Count

MDL Number

MDLnumberMFCD14635840

Monoisotopic Mass

190.026609g/mol

Rotatable Bond Count

XLogP3

1.2

MSDS

Download MSDS

COA

Download COA

Spec Sheet

Download Spec Sheet

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