Consensus flow list

Potassium (4-hydroxyphenyl)[(3-methoxy-1-methyl-3-oxoprop-1-en-1-yl)amino]acetate

fo-ee63db3b703e415c

Identity

Type
MolecularComplex
CAS
69416-61-1
EC
273-992-8
Origin
EF 3.1 hybrid_name_cas_v1
Changes
55 across every transformer

Structure

Structure diagram for Potassium (4-hydroxyphenyl)[(3-methoxy-1-methyl-3-oxoprop-1-en-1-yl)amino]acetate

This substance carries 2 candidate structures; the diagram is the first one RDKit could parse, not a settled answer.

Alternative labels

5

Properties

PropertyValue
InChI2D key string chemrof:inchi2d_key_string RUDNTXNLNGLWFQ-UTONKHPSSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C13H15NO5.K/c1-8(7-11(16)19-2)14-12(13(17)18)9-3-5-10(15)6-4-9;/h3-7,12,14-15H,1-2H3,(H,17,18);, InChI=1S/C13H15NO5.K/c1-8(7-11(16)19-2)14-12(13(17)18)9-3-5-10(15)6-4-9;/h3-7,12,14-15H,1-2H3,(H,17,18);/t12-;/m1./s1
Isomeric SMILES string chemrof:isomeric_smiles_string CC(=CC(=O)OC)N[C@H](C1=CC=C(C=C1)O)C(=O)O.[K]
Molecular formula chemrof:molecular_formula C13H15KNO5
Molecular mass chemrof:molecular_mass 304.363
Monoisotopic mass chemrof:monoisotopic_mass 304.058729
SMILES string chemrof:smiles_string COC(=O)C=C(C)NC(C(=O)O)c1ccc(O)cc1.[K]

Known URLs

2

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=69416-61-1 enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/131857738 enrich_references.pubchem_compound

Elementary flows

13
Flow Context Source Unit CFs
5591b9fa-ad12-413f-8184-6589d5d82c3c Environmental → Air → Aircraft cruise height EF 3.1 kg 2
0117b7b4-5b51-4f22-a80a-85b8e2998f2d Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 2
a0703c0e-daf3-48b6-a82b-864e0496ada4 Environmental → Air → Indoor EF 3.1 kg 2
81474388-dc00-4843-bd9d-ef0d12904a54 Environmental → Air → Long-term EF 3.1 kg 0
da179198-6273-4beb-b38d-ede8feb53f72 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 2
7f8622cd-8632-4e39-90c1-ba2740d70cee Environmental → Air → Unknown EF 3.1 kg 2
94587954-95ee-4fc3-8174-ecc8514f3f7d Environmental → Ground → Agricultural EF 3.1 kg 2
6c3578df-7a30-4ac4-b53f-ecbd5b68234a Environmental → Ground → Non-agricultural EF 3.1 kg 2
68becc77-c9d4-4979-b3fd-9533b542fd1f Environmental → Ground → Unknown EF 3.1 kg 2
4283c4e7-5f94-40c6-bcc2-a64cad2ae122 Environmental → Water → Long-term EF 3.1 kg 0
d3aea682-a921-4228-b919-77e45e9b7bf2 Environmental → Water → Ocean EF 3.1 kg 2
46e993ac-0d56-4831-8e30-6d89f2ea4123 Environmental → Water → Surface water EF 3.1 kg 2
568a213e-8c1a-4351-b08b-2f985cbd47c3 Environmental → Water → Unknown EF 3.1 kg 2

History

Everything that changed this substance (55 changes)

Open the changes page

Full record

Flow object JSON 
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}

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