4-METHYL-3-PENTENOIC ACID

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NCATS

Details

Stereochemistry	ACHIRAL
Molecular Formula	C6H10O2
Molecular Weight	114.1424
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 4-METHYL-3-PENTENOIC ACID

Structure Search

SMILES

CC(C)=CCC(O)=O

InChI

InChIKey=CQJHAULYLJXJNL-UHFFFAOYSA-N

InChI=1S/C6H10O2/c1-5(2)3-4-6(7)8/h3H,4H2,1-2H3,(H,7,8)

HIDE SMILES / InChI

Molecular Formula	C6H10O2
Molecular Weight	114.1424
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 `Mon Mar 31 22:46:41 GMT 2025` Edited by `admin` on `Mon Mar 31 22:46:41 GMT 2025`
Record UNII	3C9RW4Q8R4
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

4-METHYL-3-PENTENOIC ACID

Systematic Name

English

3-PENTENOIC ACID, 4-METHYL-

Preferred Name

English

4-METHYL-3-PENTEN-1-OIC ACID

Systematic Name

English

4,4-DIMETHYL-3-BUTENOIC ACID

Systematic Name

English

Code System Code Type Description

CHEBI

143856

Created by admin on Mon Mar 31 22:46:41 GMT 2025 , Edited by admin on Mon Mar 31 22:46:41 GMT 2025

PRIMARY

CAS

1866-96-2

Created by admin on Mon Mar 31 22:46:41 GMT 2025 , Edited by admin on Mon Mar 31 22:46:41 GMT 2025

SUPERSEDED

CAS

504-85-8

Created by admin on Mon Mar 31 22:46:41 GMT 2025 , Edited by admin on Mon Mar 31 22:46:41 GMT 2025

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FDA UNII

3C9RW4Q8R4

Created by admin on Mon Mar 31 22:46:41 GMT 2025 , Edited by admin on Mon Mar 31 22:46:41 GMT 2025

PRIMARY

EPA CompTox

DTXSID40198450

Created by admin on Mon Mar 31 22:46:41 GMT 2025 , Edited by admin on Mon Mar 31 22:46:41 GMT 2025

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PUBCHEM

68158

Created by admin on Mon Mar 31 22:46:41 GMT 2025 , Edited by admin on Mon Mar 31 22:46:41 GMT 2025

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