Cyclobutaneboronic acid

CAT: 0127-OR60086-01Size: 1 gDry Ice: NoHazardous: No

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CAT#:0127-OR60086-01Size:1 g

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CAS Number

849052-26-2

MDL Number

MFCD06798108

Purity

95%

Smiles

OB(O)C1CCC1

Storage Conditions

Store at 2-8°C

Chemical Information

Cyclobutylboronic acid

CAS Number	849052-26-2
PubChem CID	16217845
IUPAC Name	cyclobutylboronic acid
Molecular Formula	C4H9BO2
Molecular Weight	99.93
Topological Polar Surface Area	40.5
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Heavy Atom Count	7
Formal Charge	0
Complexity	60

SMILES

B(C1CCC1)(O)O

InChI

InChI=1S/C4H9BO2/c6-5(7)4-2-1-3-4/h4,6-7H,1-3H2

InChIKey

MIUALDDWOKMYDA-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 849052-26-2

CID: 16217845

Formula: C4H9BO2

MW: 99.93

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	99.93
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Exact Mass	100.0695597
Monoisotopic Mass	100.0695597
Topological Polar Surface Area	40.5 Å²
Heavy Atom Count	7
Formal Charge	0
Complexity	60.7
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

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