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

[89908-23-6]
2-Propenoic acid, 2-(3',3'-dimethyl-6-nitrospiro[2H-1-benzopyran-2,2'-[2H]indol]-1'(3'H)-yl)ethyl ester
[1383427-98-2]
(S)-Hexahydropyrazino[2,1-c][1,4]oxazin-4(3H)-one hydrochloride
[70199-62-1]
(4-Pyridyl)acetone Hydrochloride
[35153-16-3]
(Z)-10-Tetradecenyl Acetate
[1035840-45-9]
1-(5-Methoxy-1,3-benzoxazol-2-yl)piperidine-3-carboxylic acid
[1006443-01-1]
1-(5-Nitropyridin-2-yl)-1H-pyrazole-3-carboxylic acid

Pyrans

[2048273-69-2]
cis-3-Fluorooxan-4-amine hydrochloride
[857177-01-6]
Ethyl 2-oxo-2-(4-oxotetrahydropyran-3-yl)acetate
[340808-52-8]
Ethyl 6-amino-2-(chloromethyl)-5-cyano-4-phenyl-4H-pyran-3-carboxylate
[66800-19-9]
5-Octyn-1-ol tetrahydropyranol ether
[62992-46-5]
2-(4-Pentynyloxy)tetrahydro-2H-pyran
[535924-69-7]
4-Tributylstannyl-3,6-dihydro-2H-pyran

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