4-p-Tolylbutyric acid

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NCATS

Details

Stereochemistry	ACHIRAL
Molecular Formula	C11H14O2
Molecular Weight	178.2277
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 4-p-Tolylbutyric acid

Structure Search

SMILES

CC1=CC=C(CCCC(O)=O)C=C1

InChI

InChIKey=IXWOVMRDYFFXGI-UHFFFAOYSA-N

InChI=1S/C11H14O2/c1-9-5-7-10(8-6-9)3-2-4-11(12)13/h5-8H,2-4H2,1H3,(H,12,13)

HIDE SMILES / InChI

Molecular Formula	C11H14O2
Molecular Weight	178.2277
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 19:27:36 GMT 2023` Edited by `admin` on `Sat Dec 16 19:27:36 GMT 2023`
Record UNII	6CD42J3Z4Q
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

4-p-Tolylbutyric acid

Common Name

English

4-Methylbenzenebutanoic acid

Systematic Name

English

NSC-57013

Code

English

Benzenebutanoic acid, 4-methyl-

Systematic Name

English

Butyric acid, 4-p-tolyl-

Systematic Name

English

Code System Code Type Description

EPA CompTox

DTXSID20196434

Created by admin on Sat Dec 16 19:27:36 GMT 2023 , Edited by admin on Sat Dec 16 19:27:36 GMT 2023

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CAS

4521-22-6

Created by admin on Sat Dec 16 19:27:36 GMT 2023 , Edited by admin on Sat Dec 16 19:27:36 GMT 2023

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PUBCHEM

78279

Created by admin on Sat Dec 16 19:27:36 GMT 2023 , Edited by admin on Sat Dec 16 19:27:36 GMT 2023

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ECHA (EC/EINECS)

224-848-8

Created by admin on Sat Dec 16 19:27:36 GMT 2023 , Edited by admin on Sat Dec 16 19:27:36 GMT 2023

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NSC

57013

Created by admin on Sat Dec 16 19:27:36 GMT 2023 , Edited by admin on Sat Dec 16 19:27:36 GMT 2023

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FDA UNII

6CD42J3Z4Q

Created by admin on Sat Dec 16 19:27:36 GMT 2023 , Edited by admin on Sat Dec 16 19:27:36 GMT 2023

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