Ethyl hexahydro-4,7-methanoindane-3a-carboxylate

CAS	80657-64-3 / 80623-07-0
Structure
Synonyms	7-Methano-3ah-indene-3a-carboxylic acid, octahydro-,ethyl ester, (3a alpha,4 alpha,7 alpha,7a alpha)
IUPAC Name	Ethyl (1S,2R,6R,7R)-tricyclo[5.2.1.02,6]decane-2-carboxylate
Molecular Weight	208.3
Canonical SMILES	CCOC(=O)C12CCCC1C3CCC2C3
InChI	InChI=1S/C13H20O2/c1-2-15-12(14)13-7-3-4-11(13)9-5-6-10(13)8-9/h9-11H,2-8H2,1H3/t9-,10+,11-,13-/m1/s1
InChI Key	MGQPKOBPXHENPO-LSCVPOLPSA-N
Boiling Point	261.8±8.0 °C
Flash Point	116 °C
Purity	95%+
Density	1.106±0.06 g/cm³
Exact Mass	208.146329876
Isomeric SMILES	CCOC(=O)[C@@]12CCC[C@@H]1[C@@H]3CC[C@H]2C3
Monoisotopic Mass	208.146329876
Refractive Index	n20/D 1.482-1.488(lit.)
Topological Polar Surface Area	26.3 Ų