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2-Tetrahydrofuroic acid

CAT: 0013-GTR19251060-01Size: 200 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19251060-01Size:200 mg
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Description
2-Tetrahydrofuroic acid
CAS Number
16874-33-2
Smiles
OC (=O) C1CCCO1
Molecular Formula
C5H8O3
Molecular Weight
116.12
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

(+-)-Tetrahydro-2-furoic acid

structure given in first source; RN given refers to cpd without isomeric designation

CAS Number16874-33-2
PubChem CID86079
IUPAC Nameoxolane-2-carboxylic acid
Molecular FormulaC5H8O3
Molecular Weight116.11
XLogP0.2
Topological Polar Surface Area46.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Heavy Atom Count8
Formal Charge0
Complexity99
SMILES
C1CC(OC1)C(=O)O
InChI
InChI=1S/C5H8O3/c6-5(7)4-2-1-3-8-4/h4H,1-3H2,(H,6,7)
InChIKey
UJJLJRQIPMGXEZ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of (+-)-Tetrahydro-2-furoic acid
CAS: 16874-33-2
CID: 86079
Formula: C5H8O3
MW: 116.11
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight116.11
XLogP30.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Exact Mass116.047344113
Monoisotopic Mass116.047344113
Topological Polar Surface Area46.5 Ų
Heavy Atom Count8
Formal Charge0
Complexity99.8
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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