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Methyl 3-Hydroxy-3-Methylbutanoate

CAT: 0127-OR1026954-01Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0127-OR1026954-01Size:100 mg
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CAS Number
6149-45-7
Synonyms
Methyl 3-hydroxy-3-methylbutanoate
Purity
98%
Smiles
CC(C)(CC(=O)OC)O

Chemical Information

Methyl 3-hydroxy-3-methylbutanoate

Methyl 3-hydroxy-3-methylbutanoate has been reported in Juglans nigra with data available.

CAS Number6149-45-7
PubChem CID521979
IUPAC Namemethyl 3-hydroxy-3-methylbutanoate
Molecular FormulaC6H12O3
Molecular Weight132.16
XLogP0
Topological Polar Surface Area46.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Heavy Atom Count9
Formal Charge0
Complexity107
SMILES
CC(C)(CC(=O)OC)O
InChI
InChI=1S/C6H12O3/c1-6(2,8)4-5(7)9-3/h8H,4H2,1-3H3
InChIKey
JNURPEZKOSMRMZ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Methyl 3-hydroxy-3-methylbutanoate
CAS: 6149-45-7
CID: 521979
Formula: C6H12O3
MW: 132.16
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight132.16
XLogP30
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
Complexity107
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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Alternative Products

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