2-Methyl-5-benzoxazolesulfonic acid

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NCATS

Details

Stereochemistry	ACHIRAL
Molecular Formula	C8H7NO4S
Molecular Weight	213.21
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 2-Methyl-5-benzoxazolesulfonic acid

Structure Search

SMILES

CC1=NC2=C(O1)C=CC(=C2)S(O)(=O)=O

InChI

InChIKey=GXGKTKGTVRUVMR-UHFFFAOYSA-N

InChI=1S/C8H7NO4S/c1-5-9-7-4-6(14(10,11)12)2-3-8(7)13-5/h2-4H,1H3,(H,10,11,12)

HIDE SMILES / InChI

Molecular Formula	C8H7NO4S
Molecular Weight	213.21
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 12:36:47 GMT 2023` Edited by `admin` on `Sat Dec 16 12:36:47 GMT 2023`
Record UNII	X7CFA33ARC
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

2-Methyl-5-benzoxazolesulfonic acid

Systematic Name

English

5-Benzoxazolesulfonic acid, 2-methyl-

Systematic Name

English

Code System Code Type Description

ECHA (EC/EINECS)

229-824-0

Created by admin on Sat Dec 16 12:36:47 GMT 2023 , Edited by admin on Sat Dec 16 12:36:47 GMT 2023

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CAS

6764-43-8

Created by admin on Sat Dec 16 12:36:47 GMT 2023 , Edited by admin on Sat Dec 16 12:36:47 GMT 2023

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EPA CompTox

DTXSID4064470

Created by admin on Sat Dec 16 12:36:47 GMT 2023 , Edited by admin on Sat Dec 16 12:36:47 GMT 2023

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FDA UNII

X7CFA33ARC

Created by admin on Sat Dec 16 12:36:47 GMT 2023 , Edited by admin on Sat Dec 16 12:36:47 GMT 2023

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PUBCHEM

81236

Created by admin on Sat Dec 16 12:36:47 GMT 2023 , Edited by admin on Sat Dec 16 12:36:47 GMT 2023

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