2-(2-formyl-4-nitrophenoxy)hexanoic Acid

2-(2′-Formyl-4′-nitrophenoxy)caproic acid
Hexanoic acid, 2-(2-formyl-4-nitrophenoxy)-

Property	Value
InChI2D key string chemrof:inchi2d_key_string	BQZBIATZHUXDFL-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string	InChI=1S/C13H15NO6/c1-2-3-4-12(13(16)17)20-11-6-5-10(14(18)19)7-9(11)8-15/h5-8,12H,2-4H2,1H3,(H,16,17)
IUPAC name chemrof:IUPAC_name	2-(2-formyl-4-nitrophenoxy)hexanoic Acid
Molecular formula chemrof:molecular_formula	C13H15NO6
Molecular mass chemrof:molecular_mass	281.264
Monoisotopic mass chemrof:monoisotopic_mass	281.089937
SMILES string chemrof:smiles_string	CCCCC(Oc1ccc([N+](=O)[O-])cc1C=O)C(=O)O

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=335153-21-4	enrich_references.pubchem_identifier_url
chem.echa.europa.eu	https://chem.echa.europa.eu/100.107.479	enrich_references.pubchem_identifier_url
comptox.epa.gov	https://comptox.epa.gov/dashboard/DTXSID60457713	enrich_references.pubchem_identifier_url
PubChem	https://pubchem.ncbi.nlm.nih.gov/compound/11173557	enrich_references.pubchem_compound
wikidata.org	https://www.wikidata.org/wiki/Q82280669	enrich_references.pubchem_identifier_url

Flow	Context	Source	Unit	CFs
611ad7c9-a3a5-4316-b655-d3ef3baa686a	Environmental → Air → Aircraft cruise height	EF 3.1	kg	2
f12adabb-ae25-469b-9bc2-c342fcb65094	Environmental → Air → Ground level → Urban (>1000 people/square mile)	EF 3.1	kg	2
390c2fa1-09b2-4872-bd1d-8be88c4c24a3	Environmental → Air → Indoor	EF 3.1	kg	2
6fb247c2-64d3-4801-b2ce-50a4b9ed43f2	Environmental → Air → Long-term	EF 3.1	kg	0
3a77eb83-6974-4ded-b7c5-8cbb2482ea8f	Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile)	EF 3.1	kg	2
0b851e16-5a90-4d07-9b28-7ae6ca40f873	Environmental → Air → Unknown	EF 3.1	kg	2
6035e250-8813-4a50-8159-009f18dabd06	Environmental → Ground → Agricultural	EF 3.1	kg	2
ca4052cd-d049-4bfb-a8e3-e0e31df538b3	Environmental → Ground → Non-agricultural	EF 3.1	kg	2
df9cecbe-3ec2-4738-b2a0-feac065dd3bb	Environmental → Ground → Unknown	EF 3.1	kg	2
440903be-0c23-414b-b5c9-53430700f430	Environmental → Water → Long-term	EF 3.1	kg	0
188ad802-cf6e-4206-8ee6-9a00ee76e1ad	Environmental → Water → Ocean	EF 3.1	kg	2
f72a7601-652d-46d6-a771-b65ffd632a60	Environmental → Water → Surface water	EF 3.1	kg	2
0c8714bc-dd26-44a2-8b33-c42ca4b611fe	Environmental → Water → Unknown	EF 3.1	kg	2

Everything that changed this substance (54 changes)

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Flow object JSON

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2-(2-formyl-4-nitrophenoxy)hexanoic Acid

Identity

Structure

Alternative labels

Properties

Known URLs

Elementary flows

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