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3-Hydroxy-2-methylbutanoic Acid

CAT: 0572-TRC-H946485-100MGSize: 100 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-H946485-100MGSize:100 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
473-86-9
Hazard Statement
Causes skin irritation
Smiles
CC(O)C(C)C(=O)O
Molecular Formula
C5 H10 O3
Molecular Weight
118.13
InChI
InChI=1S/C5H10O3/c1-3(4(2)6)5(7)8/h3-4,6H,1-2H3,(H,7,8)
Additionnal Information
IUPAC name: 3-hydroxy-2-methylbutanoic acid
Shipping Conditions
Room Temperature
Storage Conditions
+4°C

Chemical Information

3-Hydroxy-2-methylbutyric acid

3-hydroxy-2-methylbutanoic acid is a 3-hydroxy monocarboxylic acid that is butyric acid which is substituted by a methyl group and a hydroxy group at positions 2 and 3, respectively. It is functionally related to a butyric acid. It is a conjugate acid of a 2-methyl-3-hydroxybutyrate.

CAS Number473-86-9
PubChem CID160471
IUPAC Name3-hydroxy-2-methylbutanoic acid
Molecular FormulaC5H10O3
Molecular Weight118.13
XLogP0
Topological Polar Surface Area57.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Heavy Atom Count8
Formal Charge0
Complexity89
SMILES
CC(C(C)O)C(=O)O
InChI
InChI=1S/C5H10O3/c1-3(4(2)6)5(7)8/h3-4,6H,1-2H3,(H,7,8)
InChIKey
VEXDRERIMPLZLU-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 3-Hydroxy-2-methylbutyric acid
CAS: 473-86-9
CID: 160471
Formula: C5H10O3
MW: 118.13
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight118.13
XLogP30
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Exact Mass118.062994177
Monoisotopic Mass118.062994177
Topological Polar Surface Area57.5 Ų
Heavy Atom Count8
Formal Charge0
Complexity89.7
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count2
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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