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4-formyltetrahydropyran

CAT: 0024-sc-267530ASize: 5 gDry Ice: NoHazardous: No
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CAT#:0024-sc-267530ASize:5 g
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CAS Number
50675-18-8

Chemical Information

Tetrahydro-2H-pyran-4-carboxaldehyde
CAS Number50675-18-8
PubChem CID9964078
IUPAC Nameoxane-4-carbaldehyde
Molecular FormulaC6H10O2
Molecular Weight114.14
XLogP0
Topological Polar Surface Area26.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Heavy Atom Count8
Formal Charge0
Complexity74
SMILES
C1COCCC1C=O
InChI
InChI=1S/C6H10O2/c7-5-6-1-3-8-4-2-6/h5-6H,1-4H2
InChIKey
CXLGNJCMPWUZKM-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Tetrahydro-2H-pyran-4-carboxaldehyde
CAS: 50675-18-8
CID: 9964078
Formula: C6H10O2
MW: 114.14
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight114.14
XLogP30
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Exact Mass114.068079557
Monoisotopic Mass114.068079557
Topological Polar Surface Area26.3 Ų
Heavy Atom Count8
Formal Charge0
Complexity74.6
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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