Methyl 3-oxohexanoate

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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 3-oxohexanoate

Structure Search

SMILES

CCCC(=O)CC(=O)OC

InChI

InChIKey=SJPCQNABHNCLPB-UHFFFAOYSA-N

InChI=1S/C7H12O3/c1-3-4-6(8)5-7(9)10-2/h3-5H2,1-2H3

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 `Sat Dec 16 11:46:19 GMT 2023` Edited by `admin` on `Sat Dec 16 11:46:19 GMT 2023`
Record UNII	T2JEP7CFU9
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

Methyl 3-oxohexanoate

Systematic Name

English

3-Oxohexanoic acid methyl ester

Systematic Name

English

Methyl 3-oxocaproate

Systematic Name

English

Hexanoic acid, 3-oxo-, methyl ester

Systematic Name

English

Caproic acid, β-oxo-, methyl ester

Systematic Name

English

Code System Code Type Description

PUBCHEM

121700

Created by admin on Sat Dec 16 11:46:19 GMT 2023 , Edited by admin on Sat Dec 16 11:46:19 GMT 2023

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EPA CompTox

DTXSID90184500

Created by admin on Sat Dec 16 11:46:19 GMT 2023 , Edited by admin on Sat Dec 16 11:46:19 GMT 2023

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FDA UNII

T2JEP7CFU9

Created by admin on Sat Dec 16 11:46:19 GMT 2023 , Edited by admin on Sat Dec 16 11:46:19 GMT 2023

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CAS

30414-54-1

Created by admin on Sat Dec 16 11:46:19 GMT 2023 , Edited by admin on Sat Dec 16 11:46:19 GMT 2023

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ECHA (EC/EINECS)

250-185-9

Created by admin on Sat Dec 16 11:46:19 GMT 2023 , Edited by admin on Sat Dec 16 11:46:19 GMT 2023

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