METHYL COUMALATE

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 Search

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

Molecular Formula	C7H6O4
Molecular Weight	154.1201
Charge	0
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	0
Optical Activity	NONE

Approval Year

PubMed

Title	Date	PubMed
Phosphine-catalyzed [4 + 3] annulation for the synthesis of highly functionalized bicyclo[3.2.2]nonadienes.	2009-09-03	19670854
Crystal structure of methyl endo-8-cyano-exo-8-methyl-3-oxo-2-oxabicyclo[2.2.2]oct-5-ene-6-carboxylate.	2003-03	12675364

Patents

Substance Class	Chemical Created by `admin` on `Mon Mar 31 21:41:30 GMT 2025` Edited by `admin` on `Mon Mar 31 21:41:30 GMT 2025`
Record UNII	1S7TMF0R8T
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

COUMALIC ACID METHYL ESTER

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