1-Octylboronic acid

CAT: 0024-sc-264935Size: 1 gDry Ice: NoHazardous: No

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CAT#:0024-sc-264935Size:1 g

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CAS Number

28741-08-4

Chemical Information

n-Octylboronic Acid

CAS Number	28741-08-4
PubChem CID	5195177
IUPAC Name	octylboronic acid
Molecular Formula	C8H19BO2
Molecular Weight	158.05
Topological Polar Surface Area	40.5
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	7
Heavy Atom Count	11
Formal Charge	0
Complexity	76

SMILES

B(CCCCCCCC)(O)O

InChI

InChI=1S/C8H19BO2/c1-2-3-4-5-6-7-8-9(10)11/h10-11H,2-8H2,1H3

InChIKey

GKFRVXOKPXCXAK-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 28741-08-4

CID: 5195177

Formula: C8H19BO2

MW: 158.05

Interactive 3D Structure

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Computed Properties

Property	Value
Molecular Weight	158.05
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	7
Exact Mass	158.1478100
Monoisotopic Mass	158.1478100
Topological Polar Surface Area	40.5 Å²
Heavy Atom Count	11
Formal Charge	0
Complexity	76.5
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
sc-485531	1,1'-Ferrocenediboronic acid
sc-264980	1,1-Cyclohexanedicarboxylic acid
sc-222777	1,1'-Ferrocenedicarboxylic acid
sc-222777A	1,1'-Ferrocenedicarboxylic acid
sc-273489	1,1-Cyclohexanediacetic acid
sc-224636	1-Cyclopentenecarboxylic acid
sc-364388A	1-Naphthohydroxamic Acid
sc-208628	1-Butenylboronic Acid
sc-490414	1β-Hydroxydeoxycholic Acid
sc-253943D	1-Naphthylacetic acid

Catalog	Name
28741-08-4-01	Octylboronic acid
OR360045-01	N-Octylboronic acid
241095-01	Octylboronic acid ≥97%
OR1095902	N-Octylboronic acid diethanolamine ester
40140017-1	Acid Fuchsin (1%) in 1% Acetic Acid
J-030005-01	Polyinosinic acid-polycytidylic acid, homopolymer (1:1)
FC56849-01	1,1-Cyclopropanedicarboxylic acid
007269-01	1,1-Cyclohexanediacetic Acid
410531-01	1,1’-Dideoxygossylic Acid
410411-01	1,1-Dithiopyrophosphoric Acid