CAS 100884-80-8 1,3,5,7-Adamantanetetracarboxylic Acid

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1,3,5,7-Adamantanetetracarboxylic Acid

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Catalog Number

ACM100884808-3

CAS Number

100884-80-8

Product Name

1,3,5,7-Adamantanetetracarboxylic Acid

Structure

Category

Carboxylic acid MOF ligand-tetracarboxylic acid MOF ligand

Synonyms

Adamantane-1,3,5,7-tetracarboxylic acid; H4ATC; adamantanetetracarboxylate; Tricyclo[3.3.1.13,7]decane-1,3,5,7-tetracarboxylic acid

IUPAC Name

adamantane-1,3,5,7-tetracarboxylic acid

Molecular Weight

312.28

Molecular Formula

C14H16O8

Canonical SMILES

C1C2(CC3(CC1(CC(C2)(C3)C(=O)O)C(=O)O)C(=O)O)C(=O)O

InChI

InChI=1S/C14H16O8/c15-7(16)11-1-12(8(17)18)4-13(2-11,9(19)20)6-14(3-11,5-12)10(21)22/h1-6H2,(H,15,16)(H,17,18)(H,19,20)(H,21,22)

InChI Key

VWAIZPYLEYEEFK-UHFFFAOYSA-N

Purity

98%

Appearance

White solid

Complexity

460

Compound Is Canonicalized

Yes

Covalently-Bonded Unit Count

Defined Atom Stereocenter Count

Defined Bond Stereocenter Count

Exact Mass

312.08451746g/mol

Formal Charge

Heavy Atom Count

Hydrogen Bond Acceptor Count

Hydrogen Bond Donor Count

Isotope Atom Count

Monoisotopic Mass

312.08451746g/mol

Rotatable Bond Count

Topological Polar Surface Area

149Å²

Undefined Atom Stereocenter Count

Undefined Bond Stereocenter Count

XLogP3

-0.9

MSDS

Download MSDS

COA

Download COA

Spec Sheet

Download Spec Sheet

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