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1,3,5,7-Adamantanetetracarboxylic Acid

Catalog Number ACM100884808-3
CAS 100884-80-8
Structure 1,3,5,7-Adamantanetetracarboxylic Acid
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
Covalently-Bonded Unit Count 1
Defined Atom Stereocenter Count 0
Exact Mass 312.08451746g/mol
Heavy Atom Count 22
Hydrogen Bond Acceptor Count 8
Hydrogen Bond Donor Count 4
Monoisotopic Mass 312.08451746g/mol
Rotatable Bond Count 4
Topological Polar Surface Area 149Ų

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