1,3,5,7-Adamantanetetracarboxylic Acid

Catalog Number	ACM100884808-3
CAS	100884-80-8
Structure
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
Formal Charge	0
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