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N-[(2-Nitrophenyl)sulfonyl]-beta-alanine
[CAS# 90558-39-7]

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Identification
Name N-[(2-Nitrophenyl)sulfonyl]-beta-alanine
Synonyms 3-(2-Nitro-benzenesulfonylamino)-propionic acid; BAS 01262762
Molecular Structure CAS#: 90558-39-7, N-[(2-Nitrophenyl)sulfonyl]-beta-alanine
Molecular Formula C9H10N2O6S
Molecular Weight 274.25
CAS Registry Number 90558-39-7
SMILES O=S(=O)(NCCC(=O)O)c1ccccc1[N+]([O-])=O
InChI 1S/C9H10N2O6S/c12-9(13)5-6-10-18(16,17)8-4-2-1-3-7(8)11(14)15/h1-4,10H,5-6H2,(H,12,13)
InChIKey GITSWRINOGOGRB-UHFFFAOYSA-N
Properties
Density 1.528g/cm3 (Cal.)
Boiling point 523.705°C at 760 mmHg (Cal.)
Flash point 270.527°C (Cal.)
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