Name: Name:3-METHYLCYCLOHEXANE-1,2-DIONE
Brand: Angene
SKU: AG003JR2
Rating: 90 (10 reviews)

3-METHYLCYCLOHEXANE-1,2-DIONE

CAS No.:

3008-43-3

Catalog Number:

AG003JR2

Molecular Formula:

Molecular Weight:

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Product Description

Catalog Number:

AG003JR2

Chemical Name:

3-METHYLCYCLOHEXANE-1,2-DIONE

CAS Number:

3008-43-3

MDL Number:

MFCD00209518

IUPAC Name:

3-methylcyclohexane-1,2-dione

InChI:

InChI=1S/C7H10O2/c1-5-3-2-4-6(8)7(5)9/h5H,2-4H2,1H3

InChI Key:

JDXJKLGWPNXSHL-UHFFFAOYSA-N

EC Number:

221-122-2

FEMA Number:

3305

Properties

Complexity:

149

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

126.068g/mol

Formal Charge:

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Molecular Weight:

126.155g/mol

Monoisotopic Mass:

126.068g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

34.1A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

0.5

Literature

Title	Journal
Cooperative strengthening of an intramolecular O-H...O hydrogen bond by a weak C-H...O counterpart: matrix-isolation infrared spectroscopy and quantum chemical studies on 3-methyl-1,2-cyclohexanedione.	The journal of physical chemistry. A 20100204
Volatile organic compounds with characteristic odor in bamboo vinegar.	Bioscience, biotechnology, and biochemistry 20061101
Identification and characterization of novel benzil (diphenylethane-1,2-dione) analogues as inhibitors of mammalian carboxylesterases.	Journal of medicinal chemistry 20050421

Properties