CAS 10397-52-1 3,3',5,5'-Tetracarboxydiphenylmethane

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3,3',5,5'-Tetracarboxydiphenylmethane

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Catalog Number

ACM10397521-1

CAS Number

10397-52-1

Product Name

3,3',5,5'-Tetracarboxydiphenylmethane

Category

Hydrogen Storage Materials; Metal Organic Frameworks (MOFs)

Synonyms

LinkerforPCN-12MOF

IUPAC Name

5-[(3,5-dicarboxyphenyl)methyl]benzene-1,3-dicarboxylic acid

Molecular Weight

344.27

Molecular Formula

C6H4-1,4-(CO2H)2

Canonical SMILES

C1=C(C=C(C=C1C(=O)O)C(=O)O)CC2=CC(=CC(=C2)C(=O)O)C(=O)O

InChI

1S/C17H12O8/c18-14(19)10-2-8(3-11(6-10)15(20)21)1-9-4-12(16(22)23)7-13(5-9)17(24)25/h2-7H,1H2,(H,18,19)(H,20,21)(H,22,23)(H,24,25)

InChI Key

RAESDWWKTFZWJA-UHFFFAOYSA-N

Melting Point

324-331 °C

Flash Point

Not applicable

Purity

≥95% (HPLC)

Appearance

powder

Storage

2-8°C

Complexity

465

Covalently-Bonded Unit Count

Exact Mass

344.053217g/mol

Formal Charge

Heavy Atom Count

MDL Number

MDLnumberMFCD19053170

Monoisotopic Mass

344.053217g/mol

Rotatable Bond Count

XLogP3

1.9

MSDS

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COA

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Spec Sheet

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