Methyl 6-oxohexanoate

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NCATS

Details

Stereochemistry	ACHIRAL
Molecular Formula	C7H12O3
Molecular Weight	144.1684
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of Methyl 6-oxohexanoate

Structure Search

SMILES

COC(=O)CCCCC=O

InChI

InChIKey=FDNFXHCDOASWAY-UHFFFAOYSA-N

InChI=1S/C7H12O3/c1-10-7(9)5-3-2-4-6-8/h6H,2-5H2,1H3

HIDE SMILES / InChI

Molecular Formula	C7H12O3
Molecular Weight	144.1684
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 19:23:21 GMT 2025` Edited by `admin` on `Tue Apr 01 19:23:21 GMT 2025`
Record UNII	7X64TVR6UT
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

Methyl 6-oxohexanoate

Systematic Name

English

Methyl 5-formylvalerate

Preferred Name

English

Hexanoic acid, 6-oxo-, methyl ester

Systematic Name

English

Code System Code Type Description

CAS

6654-36-0

Created by admin on Tue Apr 01 19:23:21 GMT 2025 , Edited by admin on Tue Apr 01 19:23:21 GMT 2025

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FDA UNII

7X64TVR6UT

Created by admin on Tue Apr 01 19:23:21 GMT 2025 , Edited by admin on Tue Apr 01 19:23:21 GMT 2025

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EPA CompTox

DTXSID80216723

Created by admin on Tue Apr 01 19:23:21 GMT 2025 , Edited by admin on Tue Apr 01 19:23:21 GMT 2025

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ECHA (EC/EINECS)

229-678-8

Created by admin on Tue Apr 01 19:23:21 GMT 2025 , Edited by admin on Tue Apr 01 19:23:21 GMT 2025

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PUBCHEM

81164

Created by admin on Tue Apr 01 19:23:21 GMT 2025 , Edited by admin on Tue Apr 01 19:23:21 GMT 2025

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