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Details

Stereochemistry ACHIRAL
Molecular Formula C7H6O4
Molecular Weight 154.1201
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of METHYL COUMALATE

SMILES

COC(=O)C1=COC(=O)C=C1

InChI

InChIKey=HHWWWZQYHPFCBY-UHFFFAOYSA-N
InChI=1S/C7H6O4/c1-10-7(9)5-2-3-6(8)11-4-5/h2-4H,1H3

HIDE SMILES / InChI

Approval Year

PubMed

PubMed

TitleDatePubMed
Phosphine-catalyzed [4 + 3] annulation for the synthesis of highly functionalized bicyclo[3.2.2]nonadienes.
2009-09-03
Crystal structure of methyl endo-8-cyano-exo-8-methyl-3-oxo-2-oxabicyclo[2.2.2]oct-5-ene-6-carboxylate.
2003-03
Patents

Patents

Name Type Language
COUMALIC ACID METHYL ESTER
MI  
Preferred Name English
METHYL COUMALATE
Common Name English
5-(METHOXYCARBONYL)-2-PYRONE
Systematic Name English
METHYL 2-OXO-2H-PYRAN-5-CARBOXYLATE
Systematic Name English
5-(CARBOMETHOXY)-2-PYRONE
Systematic Name English
GLUTACONIC ACID, 4-(HYDROXYMETHYLENE)-, .DELTA.-LACTONE, METHYL ESTER
Common Name English
METHYL 2-PYRONE-5-CARBOXYLATE
Systematic Name English
COUMALIC ACID METHYL ESTER [MI]
Common Name English
NSC-34627
Code English
METHYL CUMALATE
Common Name English
NSC-137387
Code English
CUMALIC ACID METHYL ESTER
Common Name English
Code System Code Type Description
FDA UNII
1S7TMF0R8T
Created by admin on Mon Mar 31 21:41:30 GMT 2025 , Edited by admin on Mon Mar 31 21:41:30 GMT 2025
PRIMARY
NSC
34627
Created by admin on Mon Mar 31 21:41:30 GMT 2025 , Edited by admin on Mon Mar 31 21:41:30 GMT 2025
PRIMARY
NSC
137387
Created by admin on Mon Mar 31 21:41:30 GMT 2025 , Edited by admin on Mon Mar 31 21:41:30 GMT 2025
PRIMARY
MERCK INDEX
m3815
Created by admin on Mon Mar 31 21:41:30 GMT 2025 , Edited by admin on Mon Mar 31 21:41:30 GMT 2025
PRIMARY Merck Index
ECHA (EC/EINECS)
227-871-1
Created by admin on Mon Mar 31 21:41:30 GMT 2025 , Edited by admin on Mon Mar 31 21:41:30 GMT 2025
PRIMARY
EPA CompTox
DTXSID00208923
Created by admin on Mon Mar 31 21:41:30 GMT 2025 , Edited by admin on Mon Mar 31 21:41:30 GMT 2025
PRIMARY
CAS
6018-41-3
Created by admin on Mon Mar 31 21:41:30 GMT 2025 , Edited by admin on Mon Mar 31 21:41:30 GMT 2025
PRIMARY
PUBCHEM
80113
Created by admin on Mon Mar 31 21:41:30 GMT 2025 , Edited by admin on Mon Mar 31 21:41:30 GMT 2025
PRIMARY