1-Methyl heptanedioate

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NCATS

Details

Stereochemistry	ACHIRAL
Molecular Formula	C8H14O4
Molecular Weight	174.1944
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 1-Methyl heptanedioate

Structure Search

SMILES

COC(=O)CCCCCC(O)=O

InChI

InChIKey=YOLQOHRXBGFZED-UHFFFAOYSA-N

InChI=1S/C8H14O4/c1-12-8(11)6-4-2-3-5-7(9)10/h2-6H2,1H3,(H,9,10)

HIDE SMILES / InChI

Molecular Formula	C8H14O4
Molecular Weight	174.1944
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 `Tue Apr 01 17:46:45 GMT 2025` Edited by `admin` on `Tue Apr 01 17:46:45 GMT 2025`
Record UNII	ES97HK2QGV
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

Methyl hydrogen heptane-1,7-dioate

Preferred Name

English

1-Methyl heptanedioate

Systematic Name

English

7-Methoxy-7-oxoheptanoic acid

Systematic Name

English

Methyl 1,7-heptanedioate

Common Name

English

Heptanedioic acid, 1-methyl ester

Systematic Name

English

Code System Code Type Description

CAS

20291-40-1

Created by admin on Tue Apr 01 17:46:45 GMT 2025 , Edited by admin on Tue Apr 01 17:46:45 GMT 2025

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EPA CompTox

DTXSID70174166

Created by admin on Tue Apr 01 17:46:45 GMT 2025 , Edited by admin on Tue Apr 01 17:46:45 GMT 2025

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PUBCHEM

88467

Created by admin on Tue Apr 01 17:46:45 GMT 2025 , Edited by admin on Tue Apr 01 17:46:45 GMT 2025

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ECHA (EC/EINECS)

243-693-7

Created by admin on Tue Apr 01 17:46:45 GMT 2025 , Edited by admin on Tue Apr 01 17:46:45 GMT 2025

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FDA UNII

ES97HK2QGV

Created by admin on Tue Apr 01 17:46:45 GMT 2025 , Edited by admin on Tue Apr 01 17:46:45 GMT 2025

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