cyanato(ethoxy)arsinic acid

C3H6AsNO4 — CID 151771906

IUPACcyanato(ethoxy)arsinic acid
SMILESCCO[As](=O)(O)OC#N
InChIInChI=1S/C3H6AsNO4/c1-2-8-4(6,7)9-3-5/h2H2,1H3,(H,6,7)
InChIKeyRSTGQFIJXNAZHX-UHFFFAOYSA-N
MW195.01 g/mol
LogP-0.62
Rot. Bonds3

About cyanato(ethoxy)arsinic acid

cyanato(ethoxy)arsinic acid (PubChem CID 151771906) has the molecular formula C3H6AsNO4 and a molecular weight of 195.01 g/mol. Its IUPAC name is cyanato(ethoxy)arsinic acid.

Molecular Properties

Compound Namecyanato(ethoxy)arsinic acid
PubChem CID151771906
Molecular FormulaC3H6AsNO4
Molecular Weight195.01 g/mol
Exact Mass194.95
IUPAC Namecyanato(ethoxy)arsinic acid
SMILESCCO[As](=O)(O)OC#N
InChIInChI=1S/C3H6AsNO4/c1-2-8-4(6,7)9-3-5/h2H2,1H3,(H,6,7)
InChIKeyRSTGQFIJXNAZHX-UHFFFAOYSA-N
XLogP-0.62
TPSA79.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.01
LogP ≤ 5-0.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanate_/aminonitrile_/thiocyanate', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze cyanato(ethoxy)arsinic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

triethyl arsorate
CID 586279
ethyl cyanate;methane
CID 157371162
oxalonitrile;1-phosphorosooxyethane
CID 174488191
2,2-diethoxy-3-oxobutanenitrile
CID 57185077
ethyl 3,3-dicyano-2-hydroxyprop-2-enoate
CID 11859031
ethyl (3R)-4-cyano-3-methoxybutanoate
CID 90295827
acetonitrile;ethyl acetate
CID 158437642
bis(acetonitrile);ethyl acetate
CID 87902691
methyl 3-cyano-2-methoxypropanoate
CID 558532
triethylsilyl cyanate
CID 19049697
3,3-diethoxypropanenitrile;sulfuric acid
CID 174960447
ethyl hydrogen carbonate;thiocyanic acid
CID 172772305

Frequently Asked Questions

What is the IUPAC name of cyanato(ethoxy)arsinic acid?
The IUPAC name of cyanato(ethoxy)arsinic acid (CID 151771906) is cyanato(ethoxy)arsinic acid.
What is the SMILES notation for cyanato(ethoxy)arsinic acid?
The canonical SMILES for cyanato(ethoxy)arsinic acid is CCO[As](=O)(O)OC#N.
What is the InChIKey of cyanato(ethoxy)arsinic acid?
The InChIKey is RSTGQFIJXNAZHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H6AsNO4/c1-2-8-4(6,7)9-3-5/h2H2,1H3,(H,6,7).
What are the key properties of cyanato(ethoxy)arsinic acid?
cyanato(ethoxy)arsinic acid has a molecular weight of 195.01 g/mol, XLogP of -0.62, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cyanato(ethoxy)arsinic acid is sourced from PubChem (CID 151771906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).