Methyl 1-Oxoindan-6-carboxylate - CAS 68634-03-7

Catalog:	BB060318
Product Name:	Methyl 1-Oxoindan-6-carboxylate
CAS:	68634-03-7
Synonyms:	Methyl 3-Oxo-2,3-dihydro-1H-indene-5-carboxylate; Methyl 1-Indanone-6-carboxylate

Technical Data

IUPAC Name:	methyl 3-oxo-1,2-dihydroindene-5-carboxylate
Description:	Methyl 1-Oxoindan-6-carboxylate is a useful reactant in organic synthesis. It can be used as a plant growth regulating compound.
Molecular Weight:	190.2
Molecular Formula:	C11H10O3
Canonical SMILES:	COC(=O)C1=CC2=C(CCC2=O)C=C1
InChI:	InChI=1S/C11H10O3/c1-14-11(13)8-3-2-7-4-5-10(12)9(7)6-8/h2-3,6H,4-5H2,1H3
InChI Key:	YDOOCAKREHMAEB-UHFFFAOYSA-N
Melting Point:	110.7° - 112.0°C
Solubility:	Chloroform (Slightly), Methanol (Slightly)
Appearance:	Off-White to Pale Yellow Solid
Storage:	-20°C Freezer, Under inert atmosphere
References:	Matveeva, Elena D., et al. Synlett, (15), 2321-2324 (2003);Pellicciari, Roberto, et al. J. of Med. Chem., 38(19), 3717-19 (1995); Lachia, M.D., et.al. U.S. Pat. Appl. Publ., (2014).

Complexity:	259
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	190.062994177
Formal Charge:	0
Heavy Atom Count:	14
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	190.062994177
Rotatable Bond Count:	2
Topological Polar Surface Area:	43.4Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.5