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alpha-Hydroxy-3-oxetaneacetic Acid

CAT: 0572-TRC-H949775-250MGSize: 250 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-H949775-250MGSize:250 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1554288-63-9
Hazard Statement
No Data Available
Smiles
O=C(O)C(O)C1COC1
Molecular Formula
C5H8O4
Molecular Weight
132.11
InChI
InChI=1S/C5H8O4/c6-4(5(7)8)3-1-9-2-3/h3-4,6H,1-2H2,(H,7,8)
Additionnal Information
IUPAC name: 2-hydroxy-2-(oxetan-3-yl)acetic acid
Shipping Conditions
Room Temperature

Chemical Information

2-Hydroxy-2-(oxetan-3-yl)acetic acid
CAS Number1554288-63-9
PubChem CID83904853
IUPAC Name2-hydroxy-2-(oxetan-3-yl)acetic acid
Molecular FormulaC5H8O4
Molecular Weight132.11
XLogP-0.9
Topological Polar Surface Area66.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count2
Heavy Atom Count9
Formal Charge0
Complexity118
SMILES
C1C(CO1)C(C(=O)O)O
InChI
InChI=1S/C5H8O4/c6-4(5(7)8)3-1-9-2-3/h3-4,6H,1-2H2,(H,7,8)
InChIKey
HKZBOASSRSBTEY-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-Hydroxy-2-(oxetan-3-yl)acetic acid
CAS: 1554288-63-9
CID: 83904853
Formula: C5H8O4
MW: 132.11
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight132.11
XLogP3-0.9
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count2
Exact Mass132.04225873
Monoisotopic Mass132.04225873
Topological Polar Surface Area66.8 Ų
Heavy Atom Count9
Formal Charge0
Complexity118
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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