Methylarsonate
PubChem CID
5460701
Structure
Molecular Formula
Synonyms
- methylarsonate(1-)
- hydroxy(methyl)arsinate
- Methylarsonate
- hydrogen methylarsonate
- methanearsonate
Molecular Weight
138.962 g/mol
Computed by PubChem 2.1 (PubChem release 2021.05.07)
Parent Compound
Dates
- Create:2004-09-16
- Modify:2025-01-11
Description
Methylarsonate(1-) is an organoarsonic acid anion. It is a conjugate base of a methylarsonic acid. It is a conjugate acid of a methylarsonate(2-).
Chemical Structure Depiction
Conformer generation is disallowed since MMFF94s unsupported element
hydroxy(methyl)arsinate
Computed by LexiChem 2.6.6 (PubChem release 2019.06.18)
InChI=1S/CH5AsO3/c1-2(3,4)5/h1H3,(H2,3,4,5)/p-1
Computed by InChI 1.0.5 (PubChem release 2019.06.18)
QYPPRTNMGCREIM-UHFFFAOYSA-M
Computed by InChI 1.0.5 (PubChem release 2019.06.18)
C[As](=O)(O)[O-]
Computed by OEChem 2.3.0 (PubChem release 2024.12.12)
CH4AsO3-
Computed by PubChem 2.1 (PubChem release 2019.06.18)
51952-66-0
- disodium methanearsonate
- methanearsonic acid
- methylarsonate
- methylarsonic acid
- methylarsonous acid
- monomethylarsonic acid
- monomethylarsonic acid, ammonium, iron (3+) salt
- monomethylarsonic acid, calcium salt (2:1)
- monomethylarsonic acid, dimercury (1+) salt
- monomethylarsonic acid, dipotassium salt
- monomethylarsonic acid, disodium salt
- monomethylarsonic acid, iron (2+) salt (3:2)
- monomethylarsonic acid, iron salt
- monomethylarsonic acid, monoammonium salt
- monomethylarsonic acid, monocalcium salt
- monomethylarsonic acid, monosodium salt
- monomethylarsonic acid, zinc salt
- monosodium methanearsonate
- MSMA
- sodium methanearsonate
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
138.962 g/mol
Reference
Computed by PubChem 2.1 (PubChem release 2021.05.07)
Property Name
Hydrogen Bond Donor Count
Property Value
1
Reference
Computed by Cactvs 3.4.6.11 (PubChem release 2019.06.18)
Property Name
Hydrogen Bond Acceptor Count
Property Value
3
Reference
Computed by Cactvs 3.4.6.11 (PubChem release 2019.06.18)
Property Name
Rotatable Bond Count
Property Value
0
Reference
Computed by Cactvs 3.4.6.11 (PubChem release 2019.06.18)
Property Name
Exact Mass
Property Value
138.937639 Da
Reference
Computed by PubChem 2.1 (PubChem release 2021.05.07)
Property Name
Monoisotopic Mass
Property Value
138.937639 Da
Reference
Computed by PubChem 2.1 (PubChem release 2021.05.07)
Property Name
Topological Polar Surface Area
Property Value
60.4 Ų
Reference
Computed by Cactvs 3.4.6.11 (PubChem release 2019.06.18)
Property Name
Heavy Atom Count
Property Value
5
Reference
Computed by PubChem
Property Name
Formal Charge
Property Value
-1
Reference
Computed by PubChem
Property Name
Complexity
Property Value
59
Reference
Computed by Cactvs 3.4.6.11 (PubChem release 2019.06.18)
Property Name
Isotope Atom Count
Property Value
0
Reference
Computed by PubChem
Property Name
Defined Atom Stereocenter Count
Property Value
0
Reference
Computed by PubChem
Property Name
Undefined Atom Stereocenter Count
Property Value
0
Reference
Computed by PubChem
Property Name
Defined Bond Stereocenter Count
Property Value
0
Reference
Computed by PubChem
Property Name
Undefined Bond Stereocenter Count
Property Value
0
Reference
Computed by PubChem
Property Name
Covalently-Bonded Unit Count
Property Value
1
Reference
Computed by PubChem
Property Name
Compound Is Canonicalized
Property Value
Yes
Reference
Computed by PubChem (release 2010.01.29)
Follow these links to do a live 2D search or do a live 3D search for this compound, sorted by annotation score. This section is deprecated (see here for details), but these live search links provide equivalent functionality to the table that was previously shown here.
Same Parent, Exact Count
Mixtures, Components, and Neutralized Forms Count
Similar Compounds (2D)
Similar Conformers (3D)
Same Count
Herbicides
Pesticides used to destroy unwanted vegetation, especially various types of weeds, grasses (POACEAE), and woody plants. Some plants develop HERBICIDE RESISTANCE. (See all compounds classified as Herbicides.)
Teratogens
An agent that causes the production of physical defects in the developing embryo. (See all compounds classified as Teratogens.)
Patents are available for this chemical structure:
https://patentscope.wipo.int/search/en/result.jsf?inchikey=QYPPRTNMGCREIM-UHFFFAOYSA-M
- ChEBIMethylarsonate(1-)https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:33409
- EPA DSSToxhydrogen methylarsonatehttps://comptox.epa.gov/dashboard/DTXSID701017912CompTox Chemicals Dashboard Chemical Listshttps://comptox.epa.gov/dashboard/chemical-lists/
- Rhea - Annotated Reactions DatabaseLICENSERhea has chosen to apply the Creative Commons Attribution License (http://creativecommons.org/licenses/by/4.0/). This means that you are free to copy, distribute, display and make commercial use of the database in all legislations, provided you credit (cite) Rhea.https://www.rhea-db.org/help/license-disclaimer
- Wikidatamethylarsonate(1-)https://www.wikidata.org/wiki/Q27115640
- PubChem
- Medical Subject Headings (MeSH)LICENSEWorks produced by the U.S. government are not subject to copyright protection in the United States. Any such works found on National Library of Medicine (NLM) Web sites may be freely used or reproduced without permission in the U.S.https://www.nlm.nih.gov/copyright.htmlmonomethylarsonic acidhttps://www.ncbi.nlm.nih.gov/mesh/67020300
- MolGenieMolGenie Organic Chemistry Ontologyhttps://github.com/MolGenie/ontology/
- PATENTSCOPE (WIPO)SID 440418755https://pubchem.ncbi.nlm.nih.gov/substance/440418755
CONTENTS