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(2S)-2-Hydroxy-2-methylbutanoic Acid

CAT: 0572-TRC-H946245-500MGSize: 500 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-H946245-500MGSize:500 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
37505-07-0
Hazard Statement
No Data Available
Smiles
CC[C@](C)(O)C(=O)O
Molecular Formula
C5 H10 O3
Molecular Weight
118.131
InChI
InChI=1S/C5H10O3/c1-3-5(2,8)4(6)7/h8H,3H2,1-2H3,(H,6,7)/t5-/m0/s1
Additionnal Information
IUPAC name: (2S)-2-hydroxy-2-methylbutanoic acid
Shipping Conditions
Room Temperature

Chemical Information

(2S)-2-hydroxy-2-methylbutanoic acid
CAS Number37505-07-0
PubChem CID816786
IUPAC Name(2S)-2-hydroxy-2-methylbutanoic acid
Molecular FormulaC5H10O3
Molecular Weight118.13
XLogP0.3
Topological Polar Surface Area57.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Heavy Atom Count8
Formal Charge0
Complexity99
SMILES
CC[C@@](C)(C(=O)O)O
InChI
InChI=1S/C5H10O3/c1-3-5(2,8)4(6)7/h8H,3H2,1-2H3,(H,6,7)/t5-/m0/s1
InChIKey
MBIQENSCDNJOIY-YFKPBYRVSA-N
Chemical Structure
2D Structure
2D structure of (2S)-2-hydroxy-2-methylbutanoic acid
CAS: 37505-07-0
CID: 816786
Formula: C5H10O3
MW: 118.13
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight118.13
XLogP30.3
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
Complexity99.8
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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HY-W015874R-012-Hydroxy-2-methylbutanoic acid (Standard)
0140113-Hydroxy-2-methylbutanoic Acid
MYB16357-01(2S) -2- (2-Fluorobenzenesulfonamido) -3-methylbutanoic acid
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