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(E) - (2-Cyclopentylethenyl) boronic Acid

CAT: 0024-sc-211398Size: 500 mgDry Ice: NoHazardous: No
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CAT#:0024-sc-211398Size:500 mg
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CAS Number
161282-93-5

Chemical Information

2-(Cyclopentyl)Ethenyl-1-Boronic Acid
CAS Number161282-93-5
PubChem CID45038753
IUPAC Name[(E)-2-cyclopentylethenyl]boronic acid
Molecular FormulaC7H13BO2
Molecular Weight139.99
Topological Polar Surface Area40.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Heavy Atom Count10
Formal Charge0
Complexity117
SMILES
B(/C=C/C1CCCC1)(O)O
InChI
InChI=1S/C7H13BO2/c9-8(10)6-5-7-3-1-2-4-7/h5-7,9-10H,1-4H2/b6-5+
InChIKey
REDSVDRKHXLRKC-AATRIKPKSA-N
Chemical Structure
2D Structure
2D structure of 2-(Cyclopentyl)Ethenyl-1-Boronic Acid
CAS: 161282-93-5
CID: 45038753
Formula: C7H13BO2
MW: 139.99
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight139.99
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Exact Mass140.1008598
Monoisotopic Mass140.1008598
Topological Polar Surface Area40.5 Ų
Heavy Atom Count10
Formal Charge0
Complexity117
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes