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Ethyl 3-hydroxy-3-methylbutanoate

CAT: 0013-GTR19252892-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19252892-01Size:1 mg
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Description
Ethyl 3-hydroxy-3-methylbutanoate is an ester compound suitable for biochemical experiments and drug synthesis research.
CAS Number
18267-36-2
Smiles
O=C (OCC) CC (O) (C) C
Molecular Formula
C7H14O3
Molecular Weight
146.18
Storage Conditions
Pure form: -20°C for 3 years | In solvent: -80°C for 1 year
Notes
For research use only.

Chemical Information

Ethyl 3-hydroxy-3-methylbutyrate

Ethyl 3-hydroxy-3-methylbutyrate has been reported in Hippophae rhamnoides with data available.

CAS Number18267-36-2
PubChem CID87537
IUPAC Nameethyl 3-hydroxy-3-methylbutanoate
Molecular FormulaC7H14O3
Molecular Weight146.18
XLogP0.4
Topological Polar Surface Area46.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count4
Heavy Atom Count10
Formal Charge0
Complexity118
SMILES
CCOC(=O)CC(C)(C)O
InChI
InChI=1S/C7H14O3/c1-4-10-6(8)5-7(2,3)9/h9H,4-5H2,1-3H3
InChIKey
HKEDUIGHSRRIKD-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Ethyl 3-hydroxy-3-methylbutyrate
CAS: 18267-36-2
CID: 87537
Formula: C7H14O3
MW: 146.18
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight146.18
XLogP30.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count4
Exact Mass146.094294304
Monoisotopic Mass146.094294304
Topological Polar Surface Area46.5 Ų
Heavy Atom Count10
Formal Charge0
Complexity118
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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