O-TOLYL 3-METHYLSALICYLATE

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NCATS

Details

Stereochemistry	ACHIRAL
Molecular Formula	C15H14O3
Molecular Weight	242.2699
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of O-TOLYL 3-METHYLSALICYLATE

Structure Search

SMILES

CC1=CC=CC=C1OC(=O)C2=CC=CC(C)=C2O

InChI

InChIKey=KFCUPCVFZAWPRP-UHFFFAOYSA-N

InChI=1S/C15H14O3/c1-10-6-3-4-9-13(10)18-15(17)12-8-5-7-11(2)14(12)16/h3-9,16H,1-2H3

HIDE SMILES / InChI

Molecular Formula	C15H14O3
Molecular Weight	242.2699
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 12:33:56 GMT 2023` Edited by `admin` on `Sat Dec 16 12:33:56 GMT 2023`
Record UNII	6Y78C3Y635
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

O-TOLYL 3-METHYLSALICYLATE

Systematic Name

English

BENZOIC ACID, 2-HYDROXY-3-METHYL-, 2-METHYLPHENYL ESTER

Systematic Name

English

Code System Code Type Description

EPA CompTox

DTXSID40234064

Created by admin on Sat Dec 16 12:33:56 GMT 2023 , Edited by admin on Sat Dec 16 12:33:56 GMT 2023

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CAS

85006-08-2

Created by admin on Sat Dec 16 12:33:56 GMT 2023 , Edited by admin on Sat Dec 16 12:33:56 GMT 2023

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ECHA (EC/EINECS)

285-038-8

Created by admin on Sat Dec 16 12:33:56 GMT 2023 , Edited by admin on Sat Dec 16 12:33:56 GMT 2023

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FDA UNII

6Y78C3Y635

Created by admin on Sat Dec 16 12:33:56 GMT 2023 , Edited by admin on Sat Dec 16 12:33:56 GMT 2023

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PUBCHEM

3020285

Created by admin on Sat Dec 16 12:33:56 GMT 2023 , Edited by admin on Sat Dec 16 12:33:56 GMT 2023

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