3-(2-Methyl-1,3-benzoxazol-3-ium-3-yl)-1-propanesulfonate supplier

Name
3-(2-METHYL-1,3-BENZOXAZOL-3-IUM-3-YL)-1-PROPANESULFONATE
EINECS
CAS No. 54443-97-9
Density
Solubility
Melting Point
Formula C₁₁H₁₃NO₄S
Boiling Point
Molecular Weight 255.295
Flash Point
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Benzoxazolium, 2-methyl-3-(3-sulfopropyl)-, hydroxide, inner salt;3-(2-methylbenzooxazol-3-yl)propane-1-sulfonate;Benzoxazolium, 2-methyl-3-(3-sulfopropyl)-, inner salt;
PSA 82.60000
LogP 2.04480

3-(2-Methyl-1,3-benzoxazol-3-ium-3-yl)-1-propanesulfonate Specification

The 3-(2-Methyl-1,3-benzoxazol-3-ium-3-yl)-1-propanesulfonate with the CAS number 54443-97-9 is also called Anhydro-2-methyl-3-(3-sulfopropyl)benzoxazolium hydroxide. Its molecular formula is C₁₁H₁₃NO₄S. This chemical should be stored in dry and cool environment.

The properties of the 3-(2-Methyl-1,3-benzoxazol-3-ium-3-yl)-1-propanesulfonate are: (1)#H bond acceptors: 5; (2)#H bond donors: 1; (3)#Freely Rotating Bonds: 4; (4)Polar Surface Area: 79.77 Å².

You can still convert the following datas into molecular structure:
(1)SMILES: [O-]S(=O)(=O)CCC[n+]1c2ccccc2oc1C
(2)InChI: InChI=1/C11H13NO4S/c1-9-12(7-4-8-17(13,14)15)10-5-2-3-6-11(10)16-9/h2-3,5-6H,4,7-8H2,1H3
(3)InChIKey: VGMUYGXTYXTNNL-UHFFFAOYAN

Product Name

3-(2-METHYL-1,3-BENZOXAZOL-3-IUM-3-YL)-1-PROPANESULFONATE

3-(2-Methyl-1,3-benzoxazol-3-ium-3-yl)-1-propanesulfonate Specification

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