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(2S,3S)-3-Hydroxy-2-methylpentanoic Acid

CAT: 0572-TRC-H884160-1GSize: 1 gDry Ice: NoHazardous: No
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CAT#:0572-TRC-H884160-1GSize:1 g
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
131897-89-7
Hazard Statement
No Data Available
Smiles
CC[C@H](O)[C@H](C)C(=O)O
Molecular Formula
C6 H12 O3
Molecular Weight
132.158
InChI
InChI=1S/C6H12O3/c1-3-5(7)4(2)6(8)9/h4-5,7H,3H2,1-2H3,(H,8,9)/t4-,5-/m0/s1
Additionnal Information
IUPAC name: (2S,3S)-3-hydroxy-2-methylpentanoic acid
Shipping Conditions
Room Temperature

Chemical Information

(2S,3S)-3-hydroxy-2-methylpentanoic acid
CAS Number131897-89-7
PubChem CID71351812
IUPAC Name(2S,3S)-3-hydroxy-2-methylpentanoic acid
Molecular FormulaC6H12O3
Molecular Weight132.16
XLogP0.6
Topological Polar Surface Area57.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Heavy Atom Count9
Formal Charge0
Complexity100
SMILES
CC[C@@H]([C@H](C)C(=O)O)O
InChI
InChI=1S/C6H12O3/c1-3-5(7)4(2)6(8)9/h4-5,7H,3H2,1-2H3,(H,8,9)/t4-,5-/m0/s1
InChIKey
NVIHALDXJWGLFD-WHFBIAKZSA-N
Chemical Structure
2D Structure
2D structure of (2S,3S)-3-hydroxy-2-methylpentanoic acid
CAS: 131897-89-7
CID: 71351812
Formula: C6H12O3
MW: 132.16
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight132.16
XLogP30.6
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Exact Mass132.078644241
Monoisotopic Mass132.078644241
Topological Polar Surface Area57.5 Ų
Heavy Atom Count9
Formal Charge0
Complexity100
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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