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(±)-2-Acetoxybutyric Acid

CAT: 0572-TRC-A162665-0.5MGSize: 0.5 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-A162665-0.5MGSize:0.5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
19947-43-4
Synonyms
2-(Acetyloxy)butanoic Acid; (±)-2-(Acetyloxy)butanoic Acid; (±)-2-Acetoxybutanoic Acid; 2-Acetoxybutyric Acid; 2-Hydroxy-butyric Acid
Hazard Statement
No Data Available
Smiles
CCC(OC(=O)C)C(=O)O
Molecular Formula
C6H10O4
Molecular Weight
146.14
Shipping Conditions
Room Temperature
Storage Conditions
+4°C

Chemical Information

2-(Acetyloxy)butanoic acid
CAS Number19947-43-4
PubChem CID13327294
IUPAC Name2-acetyloxybutanoic acid
Molecular FormulaC6H10O4
Molecular Weight146.14
XLogP0.6
Topological Polar Surface Area63.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count4
Heavy Atom Count10
Formal Charge0
Complexity141
SMILES
CCC(C(=O)O)OC(=O)C
InChI
InChI=1S/C6H10O4/c1-3-5(6(8)9)10-4(2)7/h5H,3H2,1-2H3,(H,8,9)
InChIKey
GELZYBXBKFHYEN-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-(Acetyloxy)butanoic acid
CAS: 19947-43-4
CID: 13327294
Formula: C6H10O4
MW: 146.14
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight146.14
XLogP30.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count4
Exact Mass146.05790880
Monoisotopic Mass146.05790880
Topological Polar Surface Area63.6 Ų
Heavy Atom Count10
Formal Charge0
Complexity141
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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