1-Methylindan - CAS 767-58-8

Catalog:	BB059618
Product Name:	1-Methylindan
CAS:	767-58-8
Synonyms:	(RS)-1-Methylindan; 1-Methyl-2,3-dihydroindene; 1-Methylindan; 1-Methylindane; 2,3-Dihydro-1-methyl-1H-indene; 2,3-Dihydro-1-methyl-1H-indene; NSC 38858

Technical Data

IUPAC Name:	1-methyl-2,3-dihydro-1H-indene
Description:	1-Methylindan is a component of fuels that is synthesized from 1-indanone (I499900). 1-Indanone is an oxidation product of Indan, a component of fuels, solvents, and varnishes. 1-Indanone is also a metabolite of Thalidomide that has been shown to inhibit the attachment of tumor cells to concanavalin A coated plastic surfaces.
Molecular Weight:	132.21
Molecular Formula:	C10H12
Canonical SMILES:	CC1CCC2=CC=CC=C12
InChI:	InChI=1S/C10H12/c1-8-6-7-9-4-2-3-5-10(8)9/h2-5,8H,6-7H2,1H3
InChI Key:	FIPKSKMDTAQBDJ-UHFFFAOYSA-N
Solubility:	Chloroform (Slightly), Ethyl Acetate (Slightly), Methanol (Slightly)
Appearance:	Clear Colourless Oil
Storage:	4°C
References:	Billings, R.E. et al. Biochemistry, 9, 1256 (1970); Braun, A.G. et al. Biochem. Pharmacol., 33, 1471 (1984); Serve, M.P. et al. J. Toxicol. Environ. Health, 29, 409 (1990).

Complexity:	117
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	132.093900383
Formal Charge:	0
Heavy Atom Count:	10
Hydrogen Bond Acceptor Count:	0
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	132.093900383
Rotatable Bond Count:	0
Topological Polar Surface Area:	0Å²
Undefined Atom Stereocenter Count:	1
Undefined Bond Stereocenter Count:	0
XLogP3:	3.1