1,3-Adamantanedicarboxylic Acid

IUPAC Name	adamantane-1,3-dicarboxylic acid
Molecular Weight	224.26
Molecular Formula	C12H16O4
Canonical SMILES	OC(=O)[C@]12C[C@@H]3C[C@H](C1)C[C@@](C3)(C2)C(O)=O
InChI	InChI=1S/C12H16O4/c13-9(14)11-2-7-1-8(4-11)5-12(3-7,6-11)10(15)16/h7-8H,1-6H2,(H,13,14)(H,15,16)
InChI Key	PAVQGHWQOQZQEH-UHFFFAOYSA-N
Boiling Point	380.6±15.0 °C(Predicted)
Melting Point	344 °C(dec.)
Purity	>97.0%(GC)(T)
Density	1.461±0.06 g/cm3(Predicted)
Appearance	White to Light yellow powder to crystal
Storage	Store under inert gas
Assay	98%
EC Number	254-395-1
Fluorescence	1S/C12H16O4/c13-9(14)11-2-7-1-8(4-11)5-12(3-7,6-11)10(15)16/h7-8H,1-6H2,(H,13,14)(H,15,16)/t7-,8+,11+,12-
MDL Number	MFCD00167790
Packaging	1 g in glass bottle
Quality Level	100