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2-Cyclobutylpropanoic acid

CAT: 0127-OR1033488-01Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0127-OR1033488-01Size:100 mg
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CAS Number
1082453-55-1
Purity
98%
Smiles
O=C(C(C1CCC1)C)O

Chemical Information

2-Cyclobutylpropanoic acid
CAS Number1082453-55-1
PubChem CID23360961
IUPAC Name2-cyclobutylpropanoic acid
Molecular FormulaC7H12O2
Molecular Weight128.17
XLogP2
Topological Polar Surface Area37.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Heavy Atom Count9
Formal Charge0
Complexity116
SMILES
CC(C1CCC1)C(=O)O
InChI
InChI=1S/C7H12O2/c1-5(7(8)9)6-3-2-4-6/h5-6H,2-4H2,1H3,(H,8,9)
InChIKey
RHFMBAUXLFDCJS-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-Cyclobutylpropanoic acid
CAS: 1082453-55-1
CID: 23360961
Formula: C7H12O2
MW: 128.17
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight128.17
XLogP32
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Exact Mass128.083729621
Monoisotopic Mass128.083729621
Topological Polar Surface Area37.3 Ų
Heavy Atom Count9
Formal Charge0
Complexity116
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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