Ethyl 1,3-dihydro-1-oxoisobenzofuran-5-carboxylate

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NCATS

Details

Stereochemistry	ACHIRAL
Molecular Formula	C11H10O4
Molecular Weight	206.1947
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of Ethyl 1,3-dihydro-1-oxoisobenzofuran-5-carboxylate

Structure Search

SMILES

CCOC(=O)C1=CC2=C(C=C1)C(=O)OC2

InChI

InChIKey=RAQLQVDNIKWBRL-UHFFFAOYSA-N

InChI=1S/C11H10O4/c1-2-14-10(12)7-3-4-9-8(5-7)6-15-11(9)13/h3-5H,2,6H2,1H3

HIDE SMILES / InChI

Molecular Formula	C11H10O4
Molecular Weight	206.1947
Charge	0
Count

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

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 12:16:35 GMT 2023` Edited by `admin` on `Sat Dec 16 12:16:35 GMT 2023`
Record UNII	N8G9NH6C28
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

Ethyl 1,3-dihydro-1-oxoisobenzofuran-5-carboxylate

Systematic Name

English

5-Isobenzofurancarboxylic acid, 1,3-dihydro-1-oxo-, ethyl ester

Systematic Name

English

Ethyl 1,3-dihydro-1-oxo-5-isobenzofurancarboxylate

Systematic Name

English

Code System Code Type Description

ECHA (EC/EINECS)

245-635-6

Created by admin on Sat Dec 16 12:16:35 GMT 2023 , Edited by admin on Sat Dec 16 12:16:35 GMT 2023

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CAS

23405-31-4

Created by admin on Sat Dec 16 12:16:35 GMT 2023 , Edited by admin on Sat Dec 16 12:16:35 GMT 2023

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EPA CompTox

DTXSID10177959

Created by admin on Sat Dec 16 12:16:35 GMT 2023 , Edited by admin on Sat Dec 16 12:16:35 GMT 2023

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FDA UNII

N8G9NH6C28

Created by admin on Sat Dec 16 12:16:35 GMT 2023 , Edited by admin on Sat Dec 16 12:16:35 GMT 2023

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PUBCHEM

90088

Created by admin on Sat Dec 16 12:16:35 GMT 2023 , Edited by admin on Sat Dec 16 12:16:35 GMT 2023

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