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Methyl 2-Hydroxy-2-methylpropanoate

CAT: 0572-TRC-M211070-5GSize: 5 gDry Ice: NoHazardous: No
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CAT#:0572-TRC-M211070-5GSize:5 g
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
2110-78-3
Synonyms
2-Hyroxyisobutyric Acid Methyl Ester; Methyl 2-Methyllactate; Methyl alpha-Hydroxyisobutyrate; Methyl 2-Hydroxyisobutanoate; Methyl 2-Hydroxyisobutyrate; NSC 7305; NSC 9381
Hazard Statement
No Data Available
Smiles
COC(=O)C(C)(C)O
Molecular Formula
C5H10O3
Molecular Weight
118.13
Shipping Conditions
Room Temperature

Chemical Information

Methyl alpha-hydroxyisobutyrate

Methyl-2-hydoxyisobutyric acid is a tertiary alcohol.

CAS Number2110-78-3
PubChem CID75024
IUPAC Namemethyl 2-hydroxy-2-methylpropanoate
Molecular FormulaC5H10O3
Molecular Weight118.13
XLogP0.1
Topological Polar Surface Area46.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Heavy Atom Count8
Formal Charge0
Complexity95
SMILES
CC(C)(C(=O)OC)O
InChI
InChI=1S/C5H10O3/c1-5(2,7)4(6)8-3/h7H,1-3H3
InChIKey
XYVQFUJDGOBPQI-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Methyl alpha-hydroxyisobutyrate
CAS: 2110-78-3
CID: 75024
Formula: C5H10O3
MW: 118.13
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight118.13
XLogP30.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Exact Mass118.062994177
Monoisotopic Mass118.062994177
Topological Polar Surface Area46.5 Ų
Heavy Atom Count8
Formal Charge0
Complexity95.8
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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