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2-Acetoxy-2-methylpropanoic acid

CAT: 0013-GTR19268174-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19268174-01Size:10 mg
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Description
2-Acetoxy-2-methylpropanoic acid is a pharmaceutical intermediate utilized in the synthesis of various active compounds.
CAS Number
15805-98-8
Smiles
O=C (OC (C (=O) O) (C) C) C
Molecular Formula
C6H10O4
Molecular Weight
146.14
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

2-(Acetyloxy)-2-methylpropanoic acid
CAS Number15805-98-8
PubChem CID347919
IUPAC Name2-acetyloxy-2-methylpropanoic acid
Molecular FormulaC6H10O4
Molecular Weight146.14
XLogP0.3
Topological Polar Surface Area63.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Heavy Atom Count10
Formal Charge0
Complexity159
SMILES
CC(=O)OC(C)(C)C(=O)O
InChI
InChI=1S/C6H10O4/c1-4(7)10-6(2,3)5(8)9/h1-3H3,(H,8,9)
InChIKey
NIWFXRKHWKGFMT-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-(Acetyloxy)-2-methylpropanoic acid
CAS: 15805-98-8
CID: 347919
Formula: C6H10O4
MW: 146.14
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight146.14
XLogP30.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Exact Mass146.05790880
Monoisotopic Mass146.05790880
Topological Polar Surface Area63.6 Ų
Heavy Atom Count10
Formal Charge0
Complexity159
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

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