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1-Cyclopropylpropan-1-one

CAT: 0127-OR1066295-01Size: 250 mgDry Ice: NoHazardous: No
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CAT#:0127-OR1066295-01Size:250 mg
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CAS Number
6704-19-4
MDL Number
MFCD11934281
Purity
96%
Smiles
CCC(C1CC1)=O

Chemical Information

1-Cyclopropylpropan-1-one
CAS Number6704-19-4
PubChem CID549699
IUPAC Name1-cyclopropylpropan-1-one
Molecular FormulaC6H10O
Molecular Weight98.14
XLogP0.9
Topological Polar Surface Area17.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count2
Heavy Atom Count7
Formal Charge0
Complexity82
SMILES
CCC(=O)C1CC1
InChI
InChI=1S/C6H10O/c1-2-6(7)5-3-4-5/h5H,2-4H2,1H3
InChIKey
JXAVVBPORYWDME-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 1-Cyclopropylpropan-1-one
CAS: 6704-19-4
CID: 549699
Formula: C6H10O
MW: 98.14
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight98.14
XLogP30.9
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count2
Exact Mass98.073164938
Monoisotopic Mass98.073164938
Topological Polar Surface Area17.1 Ų
Heavy Atom Count7
Formal Charge0
Complexity82.2
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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