Ethyl 2-methylacetoacetate

CAT: 0024-sc-257455Size: 25 gDry Ice: NoHazardous: No

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CAT#:0024-sc-257455Size:25 g

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CAS Number

609-14-3

Chemical Information

Ethyl 2-methylacetoacetate

structure in first source

CAS Number	609-14-3
PubChem CID	701
IUPAC Name	ethyl 2-methyl-3-oxobutanoate
Molecular Formula	C7H12O3
Molecular Weight	144.17
XLogP	0.9
Topological Polar Surface Area	43.4
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	4
Heavy Atom Count	10
Formal Charge	0
Complexity	140

SMILES

CCOC(=O)C(C)C(=O)C

InChI

InChI=1S/C7H12O3/c1-4-10-7(9)5(2)6(3)8/h5H,4H2,1-3H3

InChIKey

FNENWZWNOPCZGK-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 609-14-3

CID: 701

Formula: C7H12O3

MW: 144.17

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	144.17
XLogP3	0.9
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	4
Exact Mass	144.078644241
Monoisotopic Mass	144.078644241
Topological Polar Surface Area	43.4 Å²
Heavy Atom Count	10
Formal Charge	0
Complexity	140
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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Catalog	Name
OR51898-01	Ethyl 2-methylacetoacetate
OR1078287-01	Ethyl 2-Ethyl-2-methylacetoacetate
E12230-01	Ethyl 2-methylacetoacetate 95%
OR1023731-01	Ethyl 2-Acetoxy-2-Methylacetoacetate
237592-01	Ethyl 2-methylacetoacetate ≥95% (GC)
SCA43123-01	Ethyl 2-ethyl-2-sulfanylbutanoate
TRC-M408845-100MG	2-(Methacryloyloxy)ethyl (2-((2-(methacryloyloxy)ethyl)dimethylammonio)ethyl) phosphate
275296-01	2-Ethyl-2-phenylglycine ethyl ester
TJA83598-01	Ethyl 2-ethyl-2- (hydroxymethyl) butanoate
NHA57578-01	Ethyl[2- (2-methoxyethoxy) ethyl]amine