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(Q72440090)
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English
3-Amino-3-(4-nitrophenyl)propionic acid
chemical compound
3-(4-Nitrophenyl)-beta-alanine
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Statements
instance of
type of chemical entity
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subclass of
chemical compound
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chemical formula
C₉H₁₀N₂O₄
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canonical SMILES
NC(CC(=O)O)c1ccc([N+](=O)[O-])cc1
1 reference
based on heuristic
inferred from InChI
Identifiers
InChI
InChI=1S/C9H10N2O4/c10-8(5-9(12)13)6-1-3-7(4-2-6)11(14)15/h1-4,8H,5,10H2,(H,12,13)
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InChIKey
JVQPVKJZKRICRR-UHFFFAOYSA-N
1 reference
based on heuristic
inferred from InChI
CAS Registry Number
102308-62-3
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DSSTox substance ID
DTXSID50956447
1 reference
matched by identifier from
InChIKey
InChIKey
JVQPVKJZKRICRR-UHFFFAOYSA-N
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