HEPTANOIC ACID, 2-ACETYL-, ETHYL ESTER

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NCATS

Details

Stereochemistry	RACEMIC
Molecular Formula	C11H20O3
Molecular Weight	200.2747
Optical Activity	( + / - )
Defined Stereocenters	0 / 1
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of HEPTANOIC ACID, 2-ACETYL-, ETHYL ESTER

Structure Search

SMILES

CCCCCC(C(C)=O)C(=O)OCC

InChI

InChIKey=XIGZBCUFFUBWDM-UHFFFAOYSA-N

InChI=1S/C11H20O3/c1-4-6-7-8-10(9(3)12)11(13)14-5-2/h10H,4-8H2,1-3H3

HIDE SMILES / InChI

Molecular Formula	C11H20O3
Molecular Weight	200.2747
Charge	0
Count

Stereochemistry	RACEMIC
Additional Stereochemistry	No
Defined Stereocenters	0 / 1
E/Z Centers	0
Optical Activity	( + / - )

Approval Year

Substance Class	Chemical Created by `admin` on `Mon Mar 31 22:08:24 GMT 2025` Edited by `admin` on `Mon Mar 31 22:08:24 GMT 2025`
Record UNII	S67X93ZTKQ
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

HEPTANOIC ACID, 2-ACETYL-, ETHYL ESTER

Common Name

English

NSC-67887

Preferred Name

English

ETHYL 2-ACETYLHEPTANOATE

Systematic Name

English

Code System Code Type Description

CAS

24317-94-0

Created by admin on Mon Mar 31 22:08:24 GMT 2025 , Edited by admin on Mon Mar 31 22:08:24 GMT 2025

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EPA CompTox

DTXSID30865144

Created by admin on Mon Mar 31 22:08:24 GMT 2025 , Edited by admin on Mon Mar 31 22:08:24 GMT 2025

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ECHA (EC/EINECS)

246-157-0

Created by admin on Mon Mar 31 22:08:24 GMT 2025 , Edited by admin on Mon Mar 31 22:08:24 GMT 2025

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FDA UNII

S67X93ZTKQ

Created by admin on Mon Mar 31 22:08:24 GMT 2025 , Edited by admin on Mon Mar 31 22:08:24 GMT 2025

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PUBCHEM

91162

Created by admin on Mon Mar 31 22:08:24 GMT 2025 , Edited by admin on Mon Mar 31 22:08:24 GMT 2025

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NSC

67887

Created by admin on Mon Mar 31 22:08:24 GMT 2025 , Edited by admin on Mon Mar 31 22:08:24 GMT 2025

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