METHYL 5-ACETYLSALICYLATE

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NCATS

Details

Stereochemistry	ACHIRAL
Molecular Formula	C10H10O4
Molecular Weight	194.184
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of METHYL 5-ACETYLSALICYLATE

Structure Search

SMILES

COC(=O)C1=C(O)C=CC(=C1)C(C)=O

InChI

InChIKey=XLSMGNNWSRNTIQ-UHFFFAOYSA-N

InChI=1S/C10H10O4/c1-6(11)7-3-4-9(12)8(5-7)10(13)14-2/h3-5,12H,1-2H3

HIDE SMILES / InChI

Molecular Formula	C10H10O4
Molecular Weight	194.184
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 19:00:42 GMT 2023` Edited by `admin` on `Sat Dec 16 19:00:42 GMT 2023`
Record UNII	5LXG3K3H5F
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

METHYL 5-ACETYLSALICYLATE

Systematic Name

English

METHYL 2-HYDROXY-5-ACETYLBENZOATE

Systematic Name

English

5-ACETYL-2-HYDROXYBENZOIC ACID METHYL ESTER

Common Name

English

BENZOIC ACID, 5-ACETYL-2-HYDROXY-, METHYL ESTER

Systematic Name

English

METHYL 5-ACETYL-2-HYDROXYBENZOATE

Systematic Name

English

NSC-67867

Code

English

5-ACETYLSALICYLIC ACID METHYL ESTER

Common Name

English

SALICYLIC ACID, 5-ACETYL-, METHYL ESTER

Common Name

English

Code System Code Type Description

EPA CompTox

DTXSID80167807

Created by admin on Sat Dec 16 19:00:42 GMT 2023 , Edited by admin on Sat Dec 16 19:00:42 GMT 2023

PRIMARY

CAS

16475-90-4

Created by admin on Sat Dec 16 19:00:42 GMT 2023 , Edited by admin on Sat Dec 16 19:00:42 GMT 2023

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NSC

67867

Created by admin on Sat Dec 16 19:00:42 GMT 2023 , Edited by admin on Sat Dec 16 19:00:42 GMT 2023

PRIMARY

FDA UNII

5LXG3K3H5F

Created by admin on Sat Dec 16 19:00:42 GMT 2023 , Edited by admin on Sat Dec 16 19:00:42 GMT 2023

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PUBCHEM

85444

Created by admin on Sat Dec 16 19:00:42 GMT 2023 , Edited by admin on Sat Dec 16 19:00:42 GMT 2023

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ECHA (EC/EINECS)

240-532-2

Created by admin on Sat Dec 16 19:00:42 GMT 2023 , Edited by admin on Sat Dec 16 19:00:42 GMT 2023

PRIMARY

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