Methyl (1R,2S,3S,4S,6R)-rel-5-Oxotricyclo[2.2.1.02,6]heptane-3-carboxylate - CAS 79356-39-1

Catalog:	BB036330
Product Name:	Methyl (1R,2S,3S,4S,6R)-rel-5-Oxotricyclo[2.2.1.02,6]heptane-3-carboxylate
CAS:	79356-39-1
Synonyms:	(1R,2S,3S,4S,6R)-5-oxo-3-tricyclo[2.2.1.0^{2,6}]heptanecarboxylic acid methyl ester; methyl (1R,2S,3S,4S,6R)-5-oxotricyclo[2.2.1.0^{2,6}]heptane-3-carboxylate

Technical Data

IUPAC Name:	methyl (1R,2S,3S,4S,6R)-5-oxotricyclo[2.2.1.02,6]heptane-3-carboxylate
Description:	Methyl (1R,2S,3S,4S,6R)-rel-5-Oxotricyclo[2.2.1.02,6]heptane-3-carboxylate (CAS# 79356-39-1 ) is a useful research chemical.
Molecular Weight:	166.17
Molecular Formula:	C9H10O3
Canonical SMILES:	COC(=O)C1C2CC3C1C3C2=O
InChI:	InChI=1S/C9H10O3/c1-12-9(11)7-4-2-3-5(7)6(3)8(4)10/h3-7H,2H2,1H3/t3-,4+,5+,6-,7-/m1/s1
InChI Key:	JSISJOWGBCKCEN-VOQCIKJUSA-N
LogP:	0.24040

Complexity:	284
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	5
Defined Bond Stereocenter Count:	0
Exact Mass:	166.062994177
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	166.062994177
Rotatable Bond Count:	2
Topological Polar Surface Area:	43.4
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0