CAS 128-97-2 1,4,5,8-Naphthalenetetracarboxylic acid hydrate

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1,4,5,8-Naphthalenetetracarboxylic acid hydrate

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Catalog Number

ACM128972

CAS Number

128-97-2

Product Name

1,4,5,8-Naphthalenetetracarboxylic acid hydrate

Structure

Category

Metal Organic Frameworks (MOFs)

IUPAC Name

naphthalene-1,4,5,8-tetracarboxylic acid

Molecular Weight

304.21g/mol

Molecular Formula

C14H8O8

Canonical SMILES

C1=CC(=C2C(=CC=C(C2=C1C(=O)O)C(=O)O)C(=O)O)C(=O)O

InChI

InChI=1S/C14H8O8/c15-11(16)5-1-2-6(12(17)18)10-8(14(21)22)4-3-7(9(5)10)13(19)20/h1-4H,(H,15,16)(H,17,18)(H,19,20)(H,21,22)

InChI Key

OLAPPGSPBNVTRF-UHFFFAOYSA-N

Melting Point

320.0 °C

Purity

hydrate

Complexity

423

Covalently-Bonded Unit Count

EC Number

204-924-7

Exact Mass

304.021917g/mol

Formal Charge

Heavy Atom Count

MeSH Entry Terms

1,4,5,8-naphthalenetetracarboxylic acid;1,4,5,8-naptetraCOOH;dicalcium 1,4,5,8-naphathalenetetracarboxylate pentahydrate;tetrasodium 1,4,5,8-naphthalenetetracarboxylate octahydrate

Monoisotopic Mass

304.021917g/mol

NSC Number

66207

Rotatable Bond Count

UNII

UNB96NX2F8

XLogP3

1.3

MSDS

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COA

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Spec Sheet

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