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Tert-Butyl 2-hydroxyacetate

CAT: 0926-FB139315-01Size: 0.01 kgDry Ice: NoHazardous: No
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CAT#:0926-FB139315-01Size:0.01 kg
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CAS Number
50595-15-8
MDL Number
MFCD03452739
Smiles
CC (C) (C) OC (=O) CO
Molecular Formula
C6H12O3
Molecular Weight
132.16 g/mol
Controlled
No

Chemical Information

Tert-butyl 2-hydroxyacetate
CAS Number50595-15-8
PubChem CID11815394
IUPAC Nametert-butyl 2-hydroxyacetate
Molecular FormulaC6H12O3
Molecular Weight132.16
XLogP0.4
Topological Polar Surface Area46.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Heavy Atom Count9
Formal Charge0
Complexity101
SMILES
CC(C)(C)OC(=O)CO
InChI
InChI=1S/C6H12O3/c1-6(2,3)9-5(8)4-7/h7H,4H2,1-3H3
InChIKey
WINGEFIITRDOLJ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Tert-butyl 2-hydroxyacetate
CAS: 50595-15-8
CID: 11815394
Formula: C6H12O3
MW: 132.16
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight132.16
XLogP30.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Exact Mass132.078644241
Monoisotopic Mass132.078644241
Topological Polar Surface Area46.5 Ų
Heavy Atom Count9
Formal Charge0
Complexity101
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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