CID 136727713

CH3AsO3+ — CID 136727713

IUPAC—
SMILESOC(O)(O)[As+]
InChIInChI=1S/CH3AsO3/c2-1(3,4)5/h3-5H/q+1
InChIKeyFWTQOFNGXCBOAP-UHFFFAOYSA-N
MW137.95 g/mol
LogP-2.26
Rot. Bonds

About CID 136727713

CID 136727713 (PubChem CID 136727713) has the molecular formula CH3AsO3+ and a molecular weight of 137.95 g/mol.

Molecular Properties

Compound NameCID 136727713
PubChem CID136727713
Molecular FormulaCH3AsO3+
Molecular Weight137.95 g/mol
Exact Mass137.93
IUPAC Name—
SMILESOC(O)(O)[As+]
InChIInChI=1S/CH3AsO3/c2-1(3,4)5/h3-5H/q+1
InChIKeyFWTQOFNGXCBOAP-UHFFFAOYSA-N
XLogP-2.26
TPSA60.69 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.95
LogP ≤ 5-2.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

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CID 174435313
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CID 21120036
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Frequently Asked Questions

What is the IUPAC name of CID 136727713?
The IUPAC name of CID 136727713 (CID 136727713) is not available.
What is the SMILES notation for CID 136727713?
The canonical SMILES for CID 136727713 is OC(O)(O)[As+].
What is the InChIKey of CID 136727713?
The InChIKey is FWTQOFNGXCBOAP-UHFFFAOYSA-N. The full InChI is InChI=1S/CH3AsO3/c2-1(3,4)5/h3-5H/q+1.
What are the key properties of CID 136727713?
CID 136727713 has a molecular weight of 137.95 g/mol, XLogP of -2.26, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 136727713 is sourced from PubChem (CID 136727713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).