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Pentylboronic Acid

CAT: 0572-TRC-P279780-25GSize: 25 gDry Ice: NoHazardous: No
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CAT#:0572-TRC-P279780-25GSize:25 g
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
4737-50-2
Synonyms
1-Pentaneboronic Acid; Pentyl-Boronic Acid; NSC 524968; Pentylboronic Acid; B-Pentylboronic Acid
Hazard Statement
Causes skin irritation.
Smiles
CCCCCB(O)O
Molecular Formula
C5H13BO2
Molecular Weight
115.97
Shipping Conditions
Room Temperature
Storage Conditions
-20°C

Chemical Information

Pentylboronic Acid
CAS Number4737-50-2
PubChem CID352103
IUPAC Namepentylboronic acid
Molecular FormulaC5H13BO2
Molecular Weight115.97
Topological Polar Surface Area40.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count4
Heavy Atom Count8
Formal Charge0
Complexity47
SMILES
B(CCCCC)(O)O
InChI
InChI=1S/C5H13BO2/c1-2-3-4-5-6(7)8/h7-8H,2-5H2,1H3
InChIKey
ABWPXVJNCQKYDR-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Pentylboronic Acid
CAS: 4737-50-2
CID: 352103
Formula: C5H13BO2
MW: 115.97
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight115.97
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count4
Exact Mass116.1008598
Monoisotopic Mass116.1008598
Topological Polar Surface Area40.5 Ų
Heavy Atom Count8
Formal Charge0
Complexity47.7
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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