BUTYL 5-METHYLISOXAZOLE-3-CARBOXYLATE

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NCATS

Details

Stereochemistry	ACHIRAL
Molecular Formula	C9H13NO3
Molecular Weight	183.2044
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of BUTYL 5-METHYLISOXAZOLE-3-CARBOXYLATE

Structure Search

SMILES

CCCCOC(=O)C1=NOC(C)=C1

InChI

InChIKey=KJWXLOFPERELSJ-UHFFFAOYSA-N

InChI=1S/C9H13NO3/c1-3-4-5-12-9(11)8-6-7(2)13-10-8/h6H,3-5H2,1-2H3

HIDE SMILES / InChI

Molecular Formula	C9H13NO3
Molecular Weight	183.2044
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 12:33:57 GMT 2023` Edited by `admin` on `Sat Dec 16 12:33:57 GMT 2023`
Record UNII	AY5YX3Z4T7
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

BUTYL 5-METHYLISOXAZOLE-3-CARBOXYLATE

Systematic Name

English

BUTYL 5-METHYL-3-ISOXAZOLECARBOXYLATE

Systematic Name

English

3-ISOXAZOLECARBOXYLIC ACID, 5-METHYL-, BUTYL ESTER

Systematic Name

English

Code System Code Type Description

CAS

85168-94-1

Created by admin on Sat Dec 16 12:33:57 GMT 2023 , Edited by admin on Sat Dec 16 12:33:57 GMT 2023

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PUBCHEM

3020472

Created by admin on Sat Dec 16 12:33:57 GMT 2023 , Edited by admin on Sat Dec 16 12:33:57 GMT 2023

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FDA UNII

AY5YX3Z4T7

Created by admin on Sat Dec 16 12:33:57 GMT 2023 , Edited by admin on Sat Dec 16 12:33:57 GMT 2023

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EPA CompTox

DTXSID40234327

Created by admin on Sat Dec 16 12:33:57 GMT 2023 , Edited by admin on Sat Dec 16 12:33:57 GMT 2023

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ECHA (EC/EINECS)

285-937-5

Created by admin on Sat Dec 16 12:33:57 GMT 2023 , Edited by admin on Sat Dec 16 12:33:57 GMT 2023

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