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5-Cyclopropyloxolan-3-one

CAT: 0926-PED65929-01Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0926-PED65929-01Size:50 mg
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CAS Number
1989659-29-1
MDL Number
MFCD30342728
Smiles
C1CC1C2CC (=O) CO2
Molecular Formula
C7H10O2
Molecular Weight
126.15 g/mol
Controlled
No

Chemical Information

5-Cyclopropyloxolan-3-one
CAS Number1989659-29-1
PubChem CID122163505
IUPAC Name5-cyclopropyloxolan-3-one
Molecular FormulaC7H10O2
Molecular Weight126.15
XLogP0.4
Topological Polar Surface Area26.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Heavy Atom Count9
Formal Charge0
Complexity138
SMILES
C1CC1C2CC(=O)CO2
InChI
InChI=1S/C7H10O2/c8-6-3-7(9-4-6)5-1-2-5/h5,7H,1-4H2
InChIKey
UYXAYCYVUOUUEM-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 5-Cyclopropyloxolan-3-one
CAS: 1989659-29-1
CID: 122163505
Formula: C7H10O2
MW: 126.15
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight126.15
XLogP30.4
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Exact Mass126.068079557
Monoisotopic Mass126.068079557
Topological Polar Surface Area26.3 Ų
Heavy Atom Count9
Formal Charge0
Complexity138
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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