3-phenylpropylboronic acid

CAT: 1731-AH PB 0152-01Size: 1 mgDry Ice: NoHazardous: No

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CAT#:1731-AH PB 0152-01Size:1 mg

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CAS Number

36329-85-8

MDL Number

MFCD01074582

Purity

0.95

Smiles

OB (O) CCCc1ccccc1

Shipping Conditions

Room temperature, no cold chain required

Chemical Information

3-phenylpropylboronic Acid

CAS Number	36329-85-8
PubChem CID	3311495
IUPAC Name	3-phenylpropylboronic acid
Molecular Formula	C9H13BO2
Molecular Weight	164.01
Topological Polar Surface Area	40.5
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	4
Heavy Atom Count	12
Formal Charge	0
Complexity	111

SMILES

B(CCCC1=CC=CC=C1)(O)O

InChI

InChI=1S/C9H13BO2/c11-10(12)8-4-7-9-5-2-1-3-6-9/h1-3,5-6,11-12H,4,7-8H2

InChIKey

DFHNKJXEZXIYPW-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 36329-85-8

CID: 3311495

Formula: C9H13BO2

MW: 164.01

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	164.01
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	4
Exact Mass	164.1008598
Monoisotopic Mass	164.1008598
Topological Polar Surface Area	40.5 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	111
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
AL BO 0407-01	3,3-diethoxypropanoic acid
AL BO 0464-01	3,3-dimethoxypropanoic acid
AL BO 0501-01	3-hydrazinylpropanoic acid
AX BL 0022-01	3-ethoxycarbonylbenzoic acid
AL BU 0065-01	3-methylpentylboronic acid
AL BL 0157-01	3-aminopentanoic acid
AL BO 0162-01	3-anilinopropanoic acid
AM UF SCH6-01	3-aminothiolane-3-carboxylic acid
AL BO 1416-01	3-hydroxy-3-phenylpropanoic acid
AK HD 0022-01	3-amino-3-cyclohexylpropanoic acid

Catalog	Name
OR907492	3-Phenylpropylboronic acid
34825450-01	3,3',5-Triiodothyroacetic acid, free acid
C7173-500	3,3-Dimethylglutaric acid
FAA96183-01	3,3-oxydipropanoic acid
TRC-D445368-10MG	3,3-Difluorocyclopentanecarboxylic Acid
TRC-D491725-25G	3,3-Diphenylpropionic Acid
HY-W016614	3,3'-Thiodipropanoic acid
TRC-D263058-250MG	3,3'-Diselenobispropionic Acid
sc-209691	3,3'-Dithiobisbenzoic Acid
sc-347292	3,3-dicyclopropylpropanoic acid