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CHEBI:60706 - 3-nitrocinnamic acid
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ChEBI Name
3-nitrocinnamic acid
ChEBI ID
CHEBI:60706
Definition
A
C
-nitro compound comprising
trans
-cinnamic acid having a nitro group at position 3 on the phenyl ring.
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This entity has been manually annotated by the ChEBI Team.
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Formula
C9H7NO4
Net Charge
0
Average Mass
193.15620
Monoisotopic Mass
193.03751
InChI
InChI=1S/C9H7NO4/c11-9(12)5-4-7-2-1-3-8(6-7)10(13)14/h1-6H,(H,11,12)/b5-4+
InChIKey
WWXMVRYHLZMQIG-SNAWJCMRSA-N
SMILES
OC(=O)\C=C\c1cccc(c1)[N+]([O-])=O
ChEBI Ontology
Outgoing
3-nitrocinnamic acid (
CHEBI:60706
)
has functional parent
trans
-cinnamic acid (
CHEBI:35697
)
3-nitrocinnamic acid (
CHEBI:60706
)
is a
C
-nitro compound (
CHEBI:35716
)
Incoming
3-nitrocinnamoyl group (
CHEBI:60677
)
is substituent group from
3-nitrocinnamic acid (
CHEBI:60706
)
IUPAC Name
(2
E
)-3-(3-nitrophenyl)prop-2-enoic acid
Synonyms
Sources
(2
E
)-3-(3-nitrophenyl)acrylic acid
IUPAC
(E)-3-(3-Nitrophenyl)-2-propenoic acid
ChemIDplus
Registry Numbers
Types
Sources
1772-76-5
CAS Registry Number
ChemIDplus
2211201
Reaxys Registry Number
Reaxys
Last Modified
25 January 2011