Consensus flow list

Dimethyl Naphthalene-2,6-dicarboxylate

fo-ecfd0d5d1bd4cc32

Identity

Type
Neutral molecule
CAS
840-65-3
EC
212-661-4
Origin
EF 3.1 hybrid_name_cas_v1
Changes
55 across every transformer

Structure

Structure diagram for Dimethyl Naphthalene-2,6-dicarboxylate

Alternative labels

9

Properties

PropertyValue
InChI2D key string chemrof:inchi2d_key_string GYUVMLBYMPKZAZ-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C14H12O4/c1-17-13(15)11-5-3-10-8-12(14(16)18-2)6-4-9(10)7-11/h3-8H,1-2H3
IUPAC name chemrof:IUPAC_name Dimethyl Naphthalene-2,6-dicarboxylate
Molecular formula chemrof:molecular_formula C14H12O4
Molecular mass chemrof:molecular_mass 244.246
Monoisotopic mass chemrof:monoisotopic_mass 244.073559
SMILES string chemrof:smiles_string COC(=O)c1ccc2cc(C(=O)OC)ccc2c1

Known URLs

9

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=840-65-3 enrich_references.consensus_cas_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.011.511 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID6029202 enrich_references.pubchem_identifier_url
dtp.cancer.gov https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=59387 enrich_references.pubchem_identifier_url
ebi.ac.uk https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL3188234 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/X4Q5T8RS0G enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J40.514K enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/61225 enrich_references.pubchem_compound
wikidata.org https://www.wikidata.org/wiki/Q27293554 enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
352ec2b5-cd57-4811-9a40-25667c0926b4 Environmental → Air → Aircraft cruise height EF 3.1 kg 4
81498bd3-3fb6-484f-b3e0-c09a283539b4 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 4
ac256312-7792-43e9-a100-cf46d840b8b6 Environmental → Air → Indoor EF 3.1 kg 4
18a05b10-7b96-4764-9565-1e8a75e922d1 Environmental → Air → Long-term EF 3.1 kg 0
e72e834a-16ae-4667-8a7e-b53b3aebcb74 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 4
aa2a595c-a836-4df0-a998-b9a69ced65a0 Environmental → Air → Unknown EF 3.1 kg 4
dce3ae5c-8631-4d9a-8d5f-ca618eb87c26 Environmental → Ground → Agricultural EF 3.1 kg 4
1a90863b-8aea-484a-b4f5-5c6bcece7c95 Environmental → Ground → Non-agricultural EF 3.1 kg 4
d514e7c2-a217-4ab5-b44d-12bb5f443083 Environmental → Ground → Unknown EF 3.1 kg 4
770d8c65-2e78-41d4-a4a6-6fd5df94ac0d Environmental → Water → Long-term EF 3.1 kg 0
09935238-5a9d-4d8b-8d16-c6e4d0125bec Environmental → Water → Ocean EF 3.1 kg 4
f7beb6a0-a264-445c-8db7-94d4f3df438e Environmental → Water → Surface water EF 3.1 kg 4
c64e1bc1-e60f-44b1-a7be-6398257670a0 Environmental → Water → Unknown EF 3.1 kg 4

History

Everything that changed this substance (55 changes)

Open the changes page

Full record

Flow object JSON 
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