BUTANOIC ACID, 4-CHLORO-, METHYL ESTER

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NCATS

Details

Stereochemistry	ACHIRAL
Molecular Formula	C5H9ClO2
Molecular Weight	136.577
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of BUTANOIC ACID, 4-CHLORO-, METHYL ESTER

Structure Search

SMILES

COC(=O)CCCCl

InChI

InChIKey=ZZUYIRISBMWFMV-UHFFFAOYSA-N

InChI=1S/C5H9ClO2/c1-8-5(7)3-2-4-6/h2-4H2,1H3

HIDE SMILES / InChI

Molecular Formula	C5H9ClO2
Molecular Weight	136.577
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 20:11:45 GMT 2023` Edited by `admin` on `Sat Dec 16 20:11:45 GMT 2023`
Record UNII	RKL29JT5L9
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

BUTANOIC ACID, 4-CHLORO-, METHYL ESTER

Common Name

English

Methyl 4-chlorobutanoate

Systematic Name

English

γ-Chlorobutyric acid methyl ester

Systematic Name

English

NSC-66271

Code

English

Code System Code Type Description

EPA CompTox

DTXSID7062873

Created by admin on Sat Dec 16 20:11:45 GMT 2023 , Edited by admin on Sat Dec 16 20:11:45 GMT 2023

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CAS

3153-37-5

Created by admin on Sat Dec 16 20:11:45 GMT 2023 , Edited by admin on Sat Dec 16 20:11:45 GMT 2023

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NSC

66271

Created by admin on Sat Dec 16 20:11:45 GMT 2023 , Edited by admin on Sat Dec 16 20:11:45 GMT 2023

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ECHA (EC/EINECS)

221-592-9

Created by admin on Sat Dec 16 20:11:45 GMT 2023 , Edited by admin on Sat Dec 16 20:11:45 GMT 2023

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PUBCHEM

76612

Created by admin on Sat Dec 16 20:11:45 GMT 2023 , Edited by admin on Sat Dec 16 20:11:45 GMT 2023

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FDA UNII

RKL29JT5L9

Created by admin on Sat Dec 16 20:11:45 GMT 2023 , Edited by admin on Sat Dec 16 20:11:45 GMT 2023

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