2,5-Dimethyl-3-(3-sulfonatopropyl)benzoxazolium

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Catalog Number
ACM70615155
Product Name
2,5-Dimethyl-3-(3-sulfonatopropyl)benzoxazolium
Structure
Structure
CAS
70615-15-5
Category
Heterocyclic Organic Compound
Synonyms
EINECS 274-698-2, CID112427, 2,5-Dimethyl-3-(3-sulphonatopropyl)benzoxazolium, Benzoxazolium, 2,5-dimethyl-3-(3-sulfopropyl)-, inner salt, 2,5-Dimethyl-3-(3-sulfopropyl)benzoxazolium, hydroxide, inner salt, 70615-15-5
IUPAC Name
3-(2,5-dimethyl-1,3-benzoxazol-3-ium-3-yl)propane-1-sulfonate
Molecular Weight
269.316800 [g/mol]
Molecular Formula
C12H15NO4S
Canonical SMILES
CC1=CC2=C(C=C1)OC(=[N+]2CCCS(=O)(=O)[O-])C
InChI Key
ZKSJRECMNSQHIZ-UHFFFAOYSA-N
EC Number
274-698-2
Exact Mass
269.07200
H-Bond Acceptor
4
H-Bond Donor
0
MSDS
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COA
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Spec Sheet
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