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3-Hydroxy-2-oxetanecarboxylic Acid

CAT: 0572-TRC-H151880-100MGSize: 100 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-H151880-100MGSize:100 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1518860-92-8
Hazard Statement
No Data Available
Smiles
OC1COC1C(=O)O
Molecular Formula
C4 H6 O4
Molecular Weight
118.088
InChI
InChI=1S/C4H6O4/c5-2-1-8-3(2)4(6)7/h2-3,5H,1H2,(H,6,7)
Additionnal Information
IUPAC name: 3-hydroxyoxetane-2-carboxylic acid
Shipping Conditions
Room Temperature

Chemical Information

3-Hydroxy-2-oxetanecarboxylic Acid
CAS Number1518860-92-8
PubChem CID83478565
IUPAC Name3-hydroxyoxetane-2-carboxylic acid
Molecular FormulaC4H6O4
Molecular Weight118.09
XLogP-0.6
Topological Polar Surface Area66.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count1
Heavy Atom Count8
Formal Charge0
Complexity111
SMILES
C1C(C(O1)C(=O)O)O
InChI
InChI=1S/C4H6O4/c5-2-1-8-3(2)4(6)7/h2-3,5H,1H2,(H,6,7)
InChIKey
KVKYXYVXXQIPAI-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 3-Hydroxy-2-oxetanecarboxylic Acid
CAS: 1518860-92-8
CID: 83478565
Formula: C4H6O4
MW: 118.09
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight118.09
XLogP3-0.6
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count1
Exact Mass118.02660867
Monoisotopic Mass118.02660867
Topological Polar Surface Area66.8 Ų
Heavy Atom Count8
Formal Charge0
Complexity111
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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