Hexylboronic acid

CAT: 0127-OR80388-01Size: 1 gDry Ice: NoHazardous: No

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CAT#:0127-OR80388-01Size:1 g

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CAS Number

16343-08-1

MDL Number

MFCD01074641

Purity

97%

Smiles

CCCCCCB(O)O

Chemical Information

Hexylboronic Acid (contains varying amounts of Anhydride)

CAS Number	16343-08-1
PubChem CID	351064
IUPAC Name	hexylboronic acid
Molecular Formula	C6H15BO2
Molecular Weight	130.00
Topological Polar Surface Area	40.5
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	5
Heavy Atom Count	9
Formal Charge	0
Complexity	57

SMILES

B(CCCCCC)(O)O

InChI

InChI=1S/C6H15BO2/c1-2-3-4-5-6-7(8)9/h8-9H,2-6H2,1H3

InChIKey

CXSYDLCMCLCOCA-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 16343-08-1

CID: 351064

Formula: C6H15BO2

MW: 130.00

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	130.00
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	5
Exact Mass	130.1165099
Monoisotopic Mass	130.1165099
Topological Polar Surface Area	40.5 Å²
Heavy Atom Count	9
Formal Charge	0
Complexity	57
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

Catalog	Name
OR361246-01	5-Hexenylboronic acid
OR361439	5-Methyl-1-hexenylboronic acid
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BIF6400-01	Fusidic acid, free acid
BIFK0050-01	Carnosic Acid, Free Acid
BIPG1005-01	Acid-PEG3-SS-PEG3-Acid
BIPG1004-01	Acid-PEG2-SS-PEG2-Acid
BIPG1007-01	Acid-PEG6-SS-PEG6-Acid
OR1076924-01	Chenodeoxycholic Acid Impurity 1; Allochenodeoxycholic Acid

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