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3-Ethoxy-2-cyclopentenone

CAT: 0572-TRC-E700058-5GSize: 5 gDry Ice: NoHazardous: No
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CAT#:0572-TRC-E700058-5GSize:5 g
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
22627-70-9
Synonyms
3-Ethoxy-2-cyclopenten-1-one; 1-Ethoxy-1-cyclopenten-3-one; 3-Ethoxy-2-cyclopentenone; 3-Ethoxycyclopent-2-en-1-one
Hazard Statement
No Data Available
Smiles
CCOC1=CC(=O)CC1
Molecular Formula
C7H10O2
Molecular Weight
126.15
Shipping Conditions
Room Temperature
Storage Conditions
+4°C

Chemical Information

3-Ethoxycyclopent-2-en-1-one
CAS Number22627-70-9
PubChem CID89777
IUPAC Name3-ethoxycyclopent-2-en-1-one
Molecular FormulaC7H10O2
Molecular Weight126.15
XLogP0.6
Topological Polar Surface Area26.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Heavy Atom Count9
Formal Charge0
Complexity147
SMILES
CCOC1=CC(=O)CC1
InChI
InChI=1S/C7H10O2/c1-2-9-7-4-3-6(8)5-7/h5H,2-4H2,1H3
InChIKey
SUQNVCCJLBQVEI-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 3-Ethoxycyclopent-2-en-1-one
CAS: 22627-70-9
CID: 89777
Formula: C7H10O2
MW: 126.15
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight126.15
XLogP30.6
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Exact Mass126.068079557
Monoisotopic Mass126.068079557
Topological Polar Surface Area26.3 Ų
Heavy Atom Count9
Formal Charge0
Complexity147
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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