Methyl 3-oxooctanoate

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NCATS

Details

Stereochemistry	ACHIRAL
Molecular Formula	C9H16O3
Molecular Weight	172.2215
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of Methyl 3-oxooctanoate

Structure Search

SMILES

CCCCCC(=O)CC(=O)OC

InChI

InChIKey=YKLCWZMIZHQGFV-UHFFFAOYSA-N

InChI=1S/C9H16O3/c1-3-4-5-6-8(10)7-9(11)12-2/h3-7H2,1-2H3

HIDE SMILES / InChI

Molecular Formula	C9H16O3
Molecular Weight	172.2215
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 19:29:59 GMT 2025` Edited by `admin` on `Tue Apr 01 19:29:59 GMT 2025`
Record UNII	86LT7B2XX6
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

Methyl 3-oxooctanoate

Systematic Name

English

Octanoic acid, 3-oxo-, methyl ester

Preferred Name

English

Code System Code Type Description

EPA CompTox

DTXSID6066783

Created by admin on Tue Apr 01 19:29:59 GMT 2025 , Edited by admin on Tue Apr 01 19:29:59 GMT 2025

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FDA UNII

86LT7B2XX6

Created by admin on Tue Apr 01 19:29:59 GMT 2025 , Edited by admin on Tue Apr 01 19:29:59 GMT 2025

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PUBCHEM

89668

Created by admin on Tue Apr 01 19:29:59 GMT 2025 , Edited by admin on Tue Apr 01 19:29:59 GMT 2025

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CAS

22348-95-4

Created by admin on Tue Apr 01 19:29:59 GMT 2025 , Edited by admin on Tue Apr 01 19:29:59 GMT 2025

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ECHA (EC/EINECS)

244-927-0

Created by admin on Tue Apr 01 19:29:59 GMT 2025 , Edited by admin on Tue Apr 01 19:29:59 GMT 2025

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