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Bendiocarb (Standard)

CAT: 0804-HY-121265RSize: 1 EachDry Ice: NoHazardous: No
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CAT#:0804-HY-121265RSize:1 Each
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Description
Bendiocarb (Standard) is the analytical standard of Bendiocarb. This product is intended for research and analytical applications. Bendiocarb is an active compound.
CAS Number
22781-23-3
UNSPSC
12352005
Target
Endogenous Metabolite; Reference Standards
Type
Reference compound
Related Pathways
Metabolic Enzyme/Protease; Others
Field of Research
Others
Assay Protocol
https://www.medchemexpress.com/bendiocarb-standard.html
Smiles
O=C(NC)OC1=CC=CC2=C1OC(C)(C)O2
Molecular Formula
C11H13NO4
Molecular Weight
223.23
Shipping Conditions
Room temperature
Scientific Category
Reference Standards

Chemical Information

Bendiocarb

Bendiocarb is a carbamate ester and a member of benzodioxoles. It has a role as an agrochemical, a carbamate insecticide and an EC 3.1.1.7 (acetylcholinesterase) inhibitor. It is functionally related to a methylcarbamic acid.

CAS Number22781-23-3
PubChem CID2314
IUPAC Name(2,2-dimethyl-1,3-benzodioxol-4-yl) N-methylcarbamate
Molecular FormulaC11H13NO4
Molecular Weight223.22
XLogP1.7
Topological Polar Surface Area56.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count2
Heavy Atom Count16
Formal Charge0
Complexity279
SMILES
CC1(OC2=C(O1)C(=CC=C2)OC(=O)NC)C
InChI
InChI=1S/C11H13NO4/c1-11(2)15-8-6-4-5-7(9(8)16-11)14-10(13)12-3/h4-6H,1-3H3,(H,12,13)
InChIKey
XEGGRYVFLWGFHI-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Bendiocarb
CAS: 22781-23-3
CID: 2314
Formula: C11H13NO4
MW: 223.22
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight223.22
XLogP31.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count2
Exact Mass223.08445790
Monoisotopic Mass223.08445790
Topological Polar Surface Area56.8 Ų
Heavy Atom Count16
Formal Charge0
Complexity279
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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