Consensus flow list

Identity

Type
Neutral molecule
CAS
813-78-5
EC
212-389-6
Origin
EF 3.1 hybrid_name_cas_v1
Changes
58 across every transformer

Structure

Structure diagram for Dimethyl phosphate

Alternative labels

7

Properties

PropertyValue
Elemental charge chemrof:elemental_charge 0
InChI2D key string chemrof:inchi2d_key_string KKUKTXOBAWVSHC-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C2H7O4P/c1-5-7(3,4)6-2/h1-2H3,(H,3,4)
IUPAC name chemrof:IUPAC_name dimethyl hydrogen phosphate
Molecular formula chemrof:molecular_formula C2H7O4P
Molecular mass chemrof:molecular_mass 126.048
Monoisotopic mass chemrof:monoisotopic_mass 126.008195, 126.0082
SMILES string chemrof:smiles_string COP(=O)(O)OC

Known URLs

15

Where else this substance is described. Collected while the pipeline resolved it — from ChEBI's cross-references, from PubChem's identifier list, and from the CAS number — so a link here is a record the merge actually read, not a search it suggests.

Resource URL Recorded by
CAS Common Chemistry https://commonchemistry.cas.org/detail?cas_rn=813-78-5 enrich_references.chebi_xrefs
ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:166474 enrich_references.chebi_id_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.011.263 enrich_references.pubchem_identifier_url
ChemSpider https://www.chemspider.com/Chemical-Structure.12582.html enrich_references.chebi_xrefs
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID5025150 enrich_references.pubchem_identifier_url
dtp.cancer.gov https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=2676 enrich_references.pubchem_identifier_url
dtp.cancer.gov https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=289396 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/HI4K2C9UEI enrich_references.pubchem_identifier_url
HMDB https://hmdb.ca/metabolites/HMDB0061734 enrich_references.chebi_xrefs
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J3.331F enrich_references.pubchem_identifier_url
metabolomicsworkbench.org https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=74828 enrich_references.pubchem_identifier_url
pdb-ccd pdb-ccd:KFG enrich_references.chebi_xrefs
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/13134 enrich_references.pubchem_compound
PubChem https://pubchem.ncbi.nlm.nih.gov/erg/#3265 enrich_references.pubchem_identifier_url
wikidata.org https://www.wikidata.org/wiki/Q2823255 enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
7402a5c3-97f9-4990-9e7d-3409b6e48a48 Environmental → Air → Aircraft cruise height EF 3.1 kg 2
456f635f-1d51-4bac-923b-3b759078b394 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 2
86d969af-dcc3-4dc4-ac65-06a504a2f41b Environmental → Air → Indoor EF 3.1 kg 2
5d8b1034-ce17-4ecf-a91b-e5b711b1fc86 Environmental → Air → Long-term EF 3.1 kg 0
64538d25-be1c-4267-af1f-2ed2ed7742ef Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 2
228d6b08-5dea-4103-b226-3ab6b712a0f4 Environmental → Air → Unknown EF 3.1 kg 2
34b5c047-912f-4726-a46a-c6f5cc40af3d Environmental → Ground → Agricultural EF 3.1 kg 2
f6eec38f-be1c-4e2f-824d-6b915ebeb38d Environmental → Ground → Non-agricultural EF 3.1 kg 2
c9949c7e-143f-45c2-898a-ce6297136d0a Environmental → Ground → Unknown EF 3.1 kg 2
b3dfb6ba-b0dc-48c5-ad31-46cce0944e15 Environmental → Water → Long-term EF 3.1 kg 0
88197ebc-fb93-44ff-86fe-a9c235f10d67 Environmental → Water → Ocean EF 3.1 kg 2
cc262303-3587-4485-8fff-7fa985b897d9 Environmental → Water → Surface water EF 3.1 kg 2
2604d41e-a748-4260-9dbb-0f82cccbd4ee Environmental → Water → Unknown EF 3.1 kg 2

History

Everything that changed this substance (58 changes)

Open the changes page

Full record

Flow object JSON
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