chempirical

4-Nitrocinnamic acid

C9H7NO4CAS 619-89-6193.16 g/mol

Open in Covalent MOL file
OHON+OO−
AlkeneCarboxylic acidNitro

Properties

Molecular formula
C9H7NO4
Molar mass
193.16 g/mol
Exact mass
193.0375 Da
Melting point
143 °C
logP
1.69Crippen estimate
Polar surface area
80.4 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
3

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number
619-89-6
SMILES
O=C(O)C=Cc1ccc([N+](=O)[O-])cc1
InChIKey
XMMRNCHTDONGRJ-UHFFFAOYSA-N
InChI
InChI=1S/C9H7NO4/c11-9(12)6-3-7-1-4-8(5-2-7)10(13)14/h1-6H,(H,11,12)

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

8 names
  • NSC 638142
  • 2-Propenoic acid, 3-(4-nitrophenyl)-
  • Cinnamic acid, p-nitro-
  • 3-(4-Nitrophenyl)-2-propenoic acid
  • p-Nitrocinnamic acid
  • 3-(4-Nitrophenyl)acrylic acid
  • 3-(4-Nitrophenyl)propenoic acid
  • NSC 2067

Work with 4-Nitrocinnamic acid

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

trans-4-Nitrocinnamic acid882-06-4Defined stereoisomer

Similar compounds

p-Phenylenediacrylic acid16323-43-665 % similar 4,4'-Dinitrostilbene2501-02-263 % similar 4-Chloro-3-nitrocinnamic acid20797-48-260 % similar 2-Chloro-5-nitrocinnamic acid36015-19-760 % similar 4-Nitrochalcone1222-98-660 % similar 3-(4-Nitrophenyl)-2-propen-1-ol1504-63-858 % similar 3-(4-Formylphenyl)-2-propenoic acid23359-08-256 % similar P-Coumaric acid501-98-456 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

5-(2-Nitroethenyl)-1,3-benzodioxole1485-00-3 3-(3-Nitrophenyl)-2-propenoic acid555-68-0 3-(2-Nitrophenyl)-2-propenoic acid612-41-9 1-(4-Nitrophenyl)-1,2-propanedione6159-25-7 6-Nitrochroman-4-one68043-53-8

Elsewhere

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