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Methyl 4-oxobutanoate

CAT: 0804-HY-23656-01Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-23656-01Size:100 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
Methyl 4-oxobutanoate is a biochemical reagent that can be used as a biological material or organic compound for life science related research.
CAS Number
13865-19-5
UNSPSC
12352211
Hazard Statement
H302, H315, H319, H335
Target
Biochemical Assay Reagents
Related Pathways
Others
Field of Research
Others
Purity
98.56
Smiles
O=C(OC)CCC=O
Molecular Formula
C5H8O3
Molecular Weight
116.12
Precautions
H302, H315, H319, H335
Shipping Conditions
Blue Ice
Storage Conditions
-20°C (Powder, stored under nitrogen)
Scientific Category
Reference compound1
Clinical Information
No Development Reported

Chemical Information

Methyl 4-oxobutyrate
CAS Number13865-19-5
PubChem CID83779
IUPAC Namemethyl 4-oxobutanoate
Molecular FormulaC5H8O3
Molecular Weight116.11
XLogP-0.5
Topological Polar Surface Area43.4
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count4
Heavy Atom Count8
Formal Charge0
Complexity87
SMILES
COC(=O)CCC=O
InChI
InChI=1S/C5H8O3/c1-8-5(7)3-2-4-6/h4H,2-3H2,1H3
InChIKey
DLZVZNAPRCRXEG-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Methyl 4-oxobutyrate
CAS: 13865-19-5
CID: 83779
Formula: C5H8O3
MW: 116.11
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight116.11
XLogP3-0.5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count4
Exact Mass116.047344113
Monoisotopic Mass116.047344113
Topological Polar Surface Area43.4 Ų
Heavy Atom Count8
Formal Charge0
Complexity87.7
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Related Products

CatalogName
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HY-W006057A-01Sodium 3-methyl-2-oxobutanoate
HY-W615225-01Tert-Butyl 4-oxobutanoate
HY-W006057AR-01Sodium 3-methyl-2-oxobutanoate (Standard)
HY-W006057AS18-01Sodium 3-methyl-2-oxobutanoate-d7
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HY-W006057AS-01Sodium 3-methyl-2-oxobutanoate-13C2, d1

Alternative Products

CatalogName
sc-255287Methyl 4-oxobutanoate
QCA03834-01Methyl 3-methyl-4-oxobutanoate
TRC-M326933-100MGMethyl 4-oxobutanoate (~85%)
FM117258-01Methyl 4-chloro-4-oxobutanoate
284356-01Methyl-4- (4-chlorophenyl) -4-oxobutanoate
sc-337971Methyl 4- (4-bromophenyl) -4-oxobutanoate
sc-460773Methyl 4- (4-methylphenyl) -4-oxobutanoate
455362-01Methyl 4- (4-fluorophenyl) -4-oxobutanoate
OR1064226-01Methyl 4- (4-chlorophenyl) -4-oxobutanoate
GTR19280915-01Methyl 4-ethoxy-3-oxobutanoate

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