Cyclohexylmethylboronic acid

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CAS Number

27762-64-7

MDL Number

MFCD09878538

Purity

98%

Smiles

OB(O)CC1CCCCC1

Chemical Information

(Cyclohexylmethyl)boronic acid

CAS Number	27762-64-7
PubChem CID	10964611
IUPAC Name	cyclohexylmethylboronic acid
Molecular Formula	C7H15BO2
Molecular Weight	142.01
Topological Polar Surface Area	40.5
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	2
Heavy Atom Count	10
Formal Charge	0
Complexity	89

SMILES

B(CC1CCCCC1)(O)O

InChI

InChI=1S/C7H15BO2/c9-8(10)6-7-4-2-1-3-5-7/h7,9-10H,1-6H2

InChIKey

STYXWXRMARWJRD-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 27762-64-7

CID: 10964611

Formula: C7H15BO2

MW: 142.01

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	142.01
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	2
Exact Mass	142.1165099
Monoisotopic Mass	142.1165099
Topological Polar Surface Area	40.5 Å²
Heavy Atom Count	10
Formal Charge	0
Complexity	89.6
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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Catalog	Name
CBA76264	Cyclohexylmethylboronic acid
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