METHYL 3,3-DIMETHYL-4-PENTENOATE

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NCATS

Details

Stereochemistry	ACHIRAL
Molecular Formula	C8H14O2
Molecular Weight	142.1956
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of METHYL 3,3-DIMETHYL-4-PENTENOATE

Structure Search

SMILES

COC(=O)CC(C)(C)C=C

InChI

InChIKey=MKLKDUHMZCIBSJ-UHFFFAOYSA-N

InChI=1S/C8H14O2/c1-5-8(2,3)6-7(9)10-4/h5H,1,6H2,2-4H3

HIDE SMILES / InChI

Molecular Formula	C8H14O2
Molecular Weight	142.1956
Charge	0
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	0
Optical Activity	NONE

Approval Year

Patents

Patents

Substance Class	Chemical Created by `admin` on `Sat Dec 16 02:00:07 GMT 2023` Edited by `admin` on `Sat Dec 16 02:00:07 GMT 2023`
Record UNII	4N16OY62SK
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

METHYL 3,3-DIMETHYL-4-PENTENOATE

Systematic Name

English

3,3-DIMETHYL-4-PENTENOIC ACID METHYL ESTER

Systematic Name

English

4-PENTENOIC ACID, 3,3-DIMETHYL-, METHYL ESTER

Common Name

English

Code System Code Type Description

CAS

63721-05-1

Created by admin on Sat Dec 16 02:00:07 GMT 2023 , Edited by admin on Sat Dec 16 02:00:07 GMT 2023

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PUBCHEM

114129

Created by admin on Sat Dec 16 02:00:07 GMT 2023 , Edited by admin on Sat Dec 16 02:00:07 GMT 2023

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ECHA (EC/EINECS)

264-431-8

Created by admin on Sat Dec 16 02:00:07 GMT 2023 , Edited by admin on Sat Dec 16 02:00:07 GMT 2023

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EPA CompTox

DTXSID9028120

Created by admin on Sat Dec 16 02:00:07 GMT 2023 , Edited by admin on Sat Dec 16 02:00:07 GMT 2023

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FDA UNII

4N16OY62SK

Created by admin on Sat Dec 16 02:00:07 GMT 2023 , Edited by admin on Sat Dec 16 02:00:07 GMT 2023

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