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Pyromeconic Acid O-Methyl Ether

CAT: 0572-TRC-P997605-2.5GSize: 2.5 gDry Ice: NoHazardous: No
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CAT#:0572-TRC-P997605-2.5GSize:2.5 g
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1193-64-2
Hazard Statement
No Data Available
Smiles
COC1=COC=CC1=O
Molecular Formula
C6 H6 O3
Molecular Weight
126.11
InChI
InChI=1S/C6H6O3/c1-8-6-4-9-3-2-5(6)7/h2-4H,1H3
Additionnal Information
IUPAC name: 3-methoxypyran-4-one
Shipping Conditions
Room Temperature

Chemical Information

3-Methoxypyran-4-one
CAS Number1193-64-2
PubChem CID22645226
IUPAC Name3-methoxypyran-4-one
Molecular FormulaC6H6O3
Molecular Weight126.11
XLogP0.3
Topological Polar Surface Area35.5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Heavy Atom Count9
Formal Charge0
Complexity179
SMILES
COC1=COC=CC1=O
InChI
InChI=1S/C6H6O3/c1-8-6-4-9-3-2-5(6)7/h2-4H,1H3
InChIKey
WLONNGPPUOEELX-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 3-Methoxypyran-4-one
CAS: 1193-64-2
CID: 22645226
Formula: C6H6O3
MW: 126.11
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight126.11
XLogP30.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Exact Mass126.031694049
Monoisotopic Mass126.031694049
Topological Polar Surface Area35.5 Ų
Heavy Atom Count9
Formal Charge0
Complexity179
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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