2,3,7,7a-Tetrahydro-7a-methyl-1H-indene-1,5(6H)-dione, >98.0%

Name: 2,3,7,7a-Tetrahydro-7a-methyl-1H-indene-1,5(6H)-dione
Brand: Chempure

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CAS Number

19576-08-0

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About this item

IUPAC name	7a-methyl-2,3,6,7-tetrahydroindene-1,5-dione
inchi	InChI=1S/C10H12O2/c1-10-5-4-8(11)6-7(10)2-3-9(10)12/h6H,2-5H2,1H3
inchi key	FNYAZSZTENLTRT-UHFFFAOYSA-N
molecular formula	C10H12O2
synonyms	19576-08-0 7a-Methyl-2,3,7,7a-tetrahydro-1H-indene-1,5(6H)-dione 2,3,7,7a-Tetrahydro-7a-methyl-1H-indene-1,5(6H)-dione Hajos-Parrish Ketone 7a-methyl-2,3,6,7-tetrahydroindene-1,5-dione

Computed Properties

Molecular Weight:	164.20 g/mol
XLogP3:	0.3
Hydrogen Bond Donor Count:	0
Hydrogen Bond Acceptor Count:	2
Rotatable Bond Count:	0
Exact Mass:	164.083729621 g/mol
Monoisotopic Mass:	164.083729621 g/mol
Topological Polar Surface Area:	34.1 Å²
Heavy Atom Count:	12
Formal Charge:	0
Complexity:	288
Isotope Atom Count:	0
Defined Atom Stereocenter Count:	0
Undefined Atom Stereocenter Count:	1
Defined Bond Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
Covalently-Bonded Unit Count:	1
Compound Is Canonicalized:	Yes

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2,3,7,7a-Tetrahydro-7a-methyl-1H-indene-1,5(6H)-dione, >98.0%

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