Consensus flow list

Identity

Type
Neutral molecule
CAS
102-01-2
EC
202-996-4
Origin
EF 3.1 hybrid_name_cas_v1
Changes
56 across every transformer

Structure

Structure diagram for Acetoacetanilide

Alternative labels

17

Properties

PropertyValue
InChI2D key string chemrof:inchi2d_key_string DYRDKSSFIWVSNM-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C10H11NO2/c1-8(12)7-10(13)11-9-5-3-2-4-6-9/h2-6H,7H2,1H3,(H,11,13)
IUPAC name chemrof:IUPAC_name Acetoacetanilide
Molecular formula chemrof:molecular_formula C10H11NO2
Molecular mass chemrof:molecular_mass 177.203
Monoisotopic mass chemrof:monoisotopic_mass 177.078979
SMILES string chemrof:smiles_string CC(=O)CC(=O)Nc1ccccc1

Known URLs

12

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=102-01-2 enrich_references.consensus_cas_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.002.725 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID0024397 enrich_references.pubchem_identifier_url
dtp.cancer.gov https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=2656 enrich_references.pubchem_identifier_url
ebi.ac.uk https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL1604429 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/W35JB9PY3X enrich_references.pubchem_identifier_url
hts.usitc.gov https://hts.usitc.gov/search?query=2924.29.77.10 enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J4.999I enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/7592 enrich_references.pubchem_compound
PubChem https://pubchem.ncbi.nlm.nih.gov/substance/?source=niaid&sourceid=019060 enrich_references.pubchem_identifier_url
wikidata.org https://www.wikidata.org/wiki/Q15720542 enrich_references.pubchem_identifier_url
Wikipedia https://en.wikipedia.org/wiki/Acetoacetanilide enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
2bec5534-4176-4558-86b0-e7bff19c6163 Environmental → Air → Aircraft cruise height EF 3.1 kg 4
dbbd6667-a023-4c26-bfc8-7971559baea6 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 4
34221ac1-32f1-4a8a-8e89-bfd3cbc0ea73 Environmental → Air → Indoor EF 3.1 kg 4
8349622c-c45b-4e78-ae22-c879cd392b38 Environmental → Air → Long-term EF 3.1 kg 0
a3ecd365-f237-49af-a2e8-d0a7904b31e8 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 4
1adb3161-3b91-4dfd-ad0b-1ca3fd9fdcd3 Environmental → Air → Unknown EF 3.1 kg 4
545b5c7c-8e06-4bce-9cc4-d5d1808c7baa Environmental → Ground → Agricultural EF 3.1 kg 4
79c3f7f2-5bd8-4edd-a2ec-2a50ba88a35a Environmental → Ground → Non-agricultural EF 3.1 kg 4
9b918eb1-967b-4fb1-9e58-2ec4e5fd6f37 Environmental → Ground → Unknown EF 3.1 kg 4
a9432302-a8db-4541-93ba-2cb65b69505a Environmental → Water → Long-term EF 3.1 kg 0
9fbdfc0e-06df-4091-958c-5ad4a3bf0f2c Environmental → Water → Ocean EF 3.1 kg 4
8c76357f-f66f-49e9-b1b3-ea649df33bf8 Environmental → Water → Surface water EF 3.1 kg 4
cfab45d6-32ff-4f90-aa13-c69486b9932e Environmental → Water → Unknown EF 3.1 kg 4

History

Everything that changed this substance (56 changes)

Open the changes page

Full record

Flow object JSON
{
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    {
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    {
      "@value": "α-Acetyl-N-phenylacetamide",
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