Methyl 4-Methyl-2-oxopentanoate - CAS 3682-43-7

Name: Methyl 4-Methyl-2-oxopentanoate
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB023096
Product Name:	Methyl 4-Methyl-2-oxopentanoate
CAS:	3682-43-7
Synonyms:	4-methyl-2-oxopentanoic acid methyl ester; methyl 4-methyl-2-oxopentanoate

Technical Data

Patents

Computed Properties

IUPAC Name:	methyl 4-methyl-2-oxopentanoate
Description:	Methyl 4-Methyl-2-oxopentanoate (CAS# 3682-43-7) is a useful research chemical.
Molecular Weight:	144.17
Molecular Formula:	C7H12O3
Canonical SMILES:	CC(C)CC(=O)C(=O)OC
InChI:	InChI=1S/C7H12O3/c1-5(2)4-6(8)7(9)10-3/h5H,4H2,1-3H3
InChI Key:	LFVDEVQENPHSSD-UHFFFAOYSA-N
Boiling Point:	184 °C at 760 mmHg
Density:	0.993 g/cm³
LogP:	0.77460

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Related Functional Groups

Carbonyl Compounds

[89908-23-6]C23H22N2O5
2-Propenoic acid, 2-(3',3'-dimethyl-6-nitrospiro[2H-1-benzopyran-2,2'-[2H]indol]-1'(3'H)-yl)ethyl ester
[87-88-7]C6H2Cl2O4
Chloranilic acid
[17746-05-3]C11H21ClO
Undecanoyl chloride
[959574-98-2]C11H10N2O2
(3-Phenyl-1H-pyrazol-1-yl)acetic acid
[1018141-88-2]C17H14N4O2
1-(2-Cyanoethyl)-3-methyl-6-phenyl-1H-pyrazolo[3,4-b]pyridine-4-carboxylic acid
[1006443-01-1]C9H6N4O4
1-(5-Nitropyridin-2-yl)-1H-pyrazole-3-carboxylic acid

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Complexity:	138
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	144.078644241
Formal Charge:	0
Heavy Atom Count:	10
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	144.078644241
Rotatable Bond Count:	4
Topological Polar Surface Area:	43.4
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.3