7-methoxy-4,4-dimethyl-1,3-isochromandione

1H-2-Benzopyran-1,3(4H)-dione, 7-methoxy-4,4-dimethyl-
7-Methoxy-4,4-dimethyl-1H-2-benzopyran-1,3(4H)-dione

Property	Value
InChI2D key string chemrof:inchi2d_key_string	XAFPBWJMFWANOI-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string	InChI=1S/C12H12O4/c1-12(2)9-5-4-7(15-3)6-8(9)10(13)16-11(12)14/h4-6H,1-3H3
IUPAC name chemrof:IUPAC_name	7-methoxy-4,4-dimethyl-1,3-isochromandione
Molecular formula chemrof:molecular_formula	C12H12O4
Molecular mass chemrof:molecular_mass	220.224
Monoisotopic mass chemrof:monoisotopic_mass	220.073559
SMILES string chemrof:smiles_string	COc1ccc2c(c1)C(=O)OC(=O)C2(C)C

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=55974-25-9	enrich_references.pubchem_identifier_url
chem.echa.europa.eu	https://chem.echa.europa.eu/100.112.312	enrich_references.pubchem_identifier_url
comptox.epa.gov	https://comptox.epa.gov/dashboard/DTXSID70467621	enrich_references.pubchem_identifier_url
PubChem	https://pubchem.ncbi.nlm.nih.gov/compound/11499529	enrich_references.pubchem_compound
wikidata.org	https://www.wikidata.org/wiki/Q72489734	enrich_references.pubchem_identifier_url

Flow	Context	Source	Unit	CFs
f7504257-d30a-4298-80a6-7dea8bd597c1	Environmental → Air → Aircraft cruise height	EF 3.1	kg	2
76a1217e-2200-416f-8295-662dacc9b373	Environmental → Air → Ground level → Urban (>1000 people/square mile)	EF 3.1	kg	2
3efa5af9-01ce-4ec2-a341-7667da6880c0	Environmental → Air → Indoor	EF 3.1	kg	2
f968cfb5-3a69-4bdf-ba1e-13b5b8eaa628	Environmental → Air → Long-term	EF 3.1	kg	0
abbea696-98f9-40b0-b00e-665f05bda17d	Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile)	EF 3.1	kg	2
dbd6198a-4145-4835-8274-fa88ed4c27cd	Environmental → Air → Unknown	EF 3.1	kg	2
bbf882fb-1176-4315-b55c-48e5109bf9e4	Environmental → Ground → Agricultural	EF 3.1	kg	2
df6ec135-4d9d-46c7-8c36-3f2b404b10ac	Environmental → Ground → Non-agricultural	EF 3.1	kg	2
3f5ac353-a871-4b50-b5b4-2fd04c3447c3	Environmental → Ground → Unknown	EF 3.1	kg	2
3a21a760-44d3-4489-9b3b-b38efe5c781d	Environmental → Water → Long-term	EF 3.1	kg	0
1ee806b2-a34f-4a2b-b06e-9d585642ce24	Environmental → Water → Ocean	EF 3.1	kg	2
001ad67d-1a5b-494d-9fa3-4b1dcb619551	Environmental → Water → Surface water	EF 3.1	kg	2
f8e95543-e099-4e93-b643-990b6953fb3a	Environmental → Water → Unknown	EF 3.1	kg	2

Everything that changed this substance (54 changes)

Open the changes page

Flow object JSON

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7-methoxy-4,4-dimethyl-1,3-isochromandione

Identity

Structure

Alternative labels

Properties

Known URLs

Elementary flows

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