4-Methyl-2H-Pyran-2,6(3H)-dione - CAS 67116-19-2

Catalog:	BB054221
Product Name:	4-Methyl-2H-Pyran-2,6(3H)-dione
CAS:	67116-19-2
Synonyms:	2H-Pyran-2,6(3H)-dione, 4-methyl-; NSC-176171; 3-Methylglutaconic anhydride; 6-Hydroxy-4-methyl-2-pyrone; Glutaconic anhydride, 3-methyl-; 1,2-Pyrone, 6-hydroxy-4-methyl-; 2H-Pyran-2-one, 6-hydroxy-4-methyl-; 4-Methyl-3,6-dihydro-2H-pyran-2,6-dione

Technical Data

Computed Properties

IUPAC Name:	4-methyl-3H-pyran-2,6-dione
Molecular Weight:	126.11
Molecular Formula:	C6H6O3
Canonical SMILES:	CC1=CC(=O)OC(=O)C1
InChI:	InChI=1S/C6H6O3/c1-4-2-5(7)9-6(8)3-4/h2H,3H2,1H3
InChI Key:	RUMVLFICHAFVGF-UHFFFAOYSA-N
Boiling Point:	249.3±19.0°C (Predicted)
Melting Point:	86°C
Purity:	≥95%
Density:	1.239±0.06 g/cm3 (Predicted)

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Related Functional Groups

Carbonyl Compounds

[51493-02-8]
N-Methyl-N-propylcarbamoyl Chloride
[959574-98-2]
(3-Phenyl-1H-pyrazol-1-yl)acetic acid
[1018141-88-2]
1-(2-Cyanoethyl)-3-methyl-6-phenyl-1H-pyrazolo[3,4-b]pyridine-4-carboxylic acid
[956439-56-8]
1-(Carboxymethyl)-3-nitro-1H-pyrazole-5-carboxylic acid
[957292-12-5]
2-(3-Cyclopropyl-1H-pyrazol-1-yl)acetic acid
[2168559-63-3]
2-(6-Methyl-2-pyridyl)acetic Acid Hydrochloride

Pyrans

[857054-03-6]
Karrikin 2
[1080028-76-7]
Bis(4-tetrahydropyranyl)amine
[27444-41-3]
tetrahydro-2H-pyran-3-yl 4-Methylbenzenesulfonate
[62992-46-5]
2-(4-Pentynyloxy)tetrahydro-2H-pyran
[1033594-04-5]
1-Benzyl-4-(4-tetrahydropyranyl)piperazine
[67116-19-2]
4-Methyl-2H-Pyran-2,6(3H)-dione

Complexity:	191
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	126.031694049
Formal Charge:	0
Heavy Atom Count:	9
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	126.031694049
Rotatable Bond Count:	0
Topological Polar Surface Area:	43.4
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0