Isopropylboronic acid

CAT: 0024-sc-252924Size: 1 gDry Ice: NoHazardous: No

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CAT#:0024-sc-252924Size:1 g

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CAS Number

80041-89-0

Chemical Information

Isopropylboronic acid

CAS Number	80041-89-0
PubChem CID	2734750
IUPAC Name	propan-2-ylboronic acid
Molecular Formula	C3H9BO2
Molecular Weight	87.92
Topological Polar Surface Area	40.5
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Heavy Atom Count	6
Formal Charge	0
Complexity	35

SMILES

B(C(C)C)(O)O

InChI

InChI=1S/C3H9BO2/c1-3(2)4(5)6/h3,5-6H,1-2H3

InChIKey

QIPHSSYCQCBJAX-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 80041-89-0

CID: 2734750

Formula: C3H9BO2

MW: 87.92

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	87.92
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Exact Mass	88.0695597
Monoisotopic Mass	88.0695597
Topological Polar Surface Area	40.5 Å²
Heavy Atom Count	6
Formal Charge	0
Complexity	35.8
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-489311	Isopropenylboronic acid
sc-252922	Isopropenylboronic acid pinacol ester
sc-278835	Chenodeoxycholic acid, free acid
sc-278835A	Chenodeoxycholic acid, free acid
sc-207666	Ethylenediaminediacetic Acid Dipropionic Acid
sc-258296	Trifluoroacetic acid, anhydride with trifluoromethanesulfonic acid
sc-489909	Fluvoxamine Acid Trifluoroacetic Acid Salt
sc-202686	L-Ascorbic acid, free acid
sc-208143	P-Aminobenzoic acid, Free Acid
sc-208143B	P-Aminobenzoic acid, Free Acid

Catalog	Name
abx182498-01	Isopropylboronic Acid
45273-01	Isopropylboronic Acid extrapure, 97%
OR1095631	Isopropylboronic acid diethanolamine ester
OR310019-01	2-Isopropylboronic acid pinacol ester
418504-01	2-Isopropylboronic acid, pinacol ester
OR1071368-01	Acid-apeg6-acid
M2859	Medronic Acid (Methylenebiphosphonic Acid, Methylenediphosphonic Acid, Methanebisphosphonic Acid, Methanediphosphonic Acid, MDP)
L2500-01	Lipoic Acid (Thioctic Acid, (±) -α-Lipoic Acid)
041005	Cacodylic Acid (dimethylarsonic acid, dimethylarsinic acid)
MBS641082-01	Lipoic Acid (Thioctic Acid, Alpha Lipoic Acid)