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(Q76308988)
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English
(2S)-2-(2,4-dinitroanilino)propanoic acid
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
chemical compound
0 references
mass
255.049135008
dalton
1 reference
based on heuristic
inferred from isomeric SMILES
chemical formula
C₉H₉N₃O₆
0 references
canonical SMILES
CC(Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C(=O)O
1 reference
based on heuristic
inferred from isomeric SMILES
isomeric SMILES
C[C@@H](C(=O)O)NC1=C(C=C(C=C1)[N+](=O)[O-])[N+](=O)[O-]
0 references
Identifiers
InChI
InChI=1S/C9H9N3O6/c1-5(9(13)14)10-7-3-2-6(11(15)16)4-8(7)12(17)18/h2-5,10H,1H3,(H,13,14)/t5-/m0/s1
0 references
InChIKey
KKHLKORVTUUSBC-YFKPBYRVSA-N
0 references
CAS Registry Number
1655-52-3
1 reference
stated in
CAS (formerly Chemical Abstracts Service)
retrieved
25 January 2022
PubChem CID
5464517
1 reference
matched by identifier from
InChIKey
InChIKey
KKHLKORVTUUSBC-YFKPBYRVSA-N
UniChem compound ID
23553627
1 reference
stated in
UniChem
UNII
L5M29FY4MQ
1 reference
matched by identifier from
InChIKey
InChIKey
KKHLKORVTUUSBC-YFKPBYRVSA-N
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