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English
4-[(1E)-2-Nitroprop-1-en-1-yl]phenol
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
chemical compound
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mass
179.058243148
dalton
1 reference
based on heuristic
inferred from isomeric SMILES
chemical formula
C₉H₉NO₃
0 references
canonical SMILES
C/C(=C\c1ccc(O)cc1)[N+](=O)[O-]
1 reference
based on heuristic
inferred from InChI
isomeric SMILES
C/C(=C\C1=CC=C(C=C1)O)/[N+](=O)[O-]
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Identifiers
InChI
InChI=1S/C9H9NO3/c1-7(10(12)13)6-8-2-4-9(11)5-3-8/h2-6,11H,1H3/b7-6+
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InChIKey
PWVYGCHRAHNBFI-VOTSOKGWSA-N
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CAS Registry Number
61126-42-9
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PubChem CID
5382518
1 reference
matched by identifier from
InChIKey
InChIKey
PWVYGCHRAHNBFI-VOTSOKGWSA-N
UniChem compound ID
5488479
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID10419280
1 reference
matched by identifier from
InChIKey
InChIKey
PWVYGCHRAHNBFI-VOTSOKGWSA-N
DSSTOX compound identifier
DTXCID30370127
0 references
NSC number
143413
0 references
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