3-(2-Nitrophenyl)-2-propenoic acid

C₉H₇NO₄CAS 612-41-9193.16 g/mol

Open in Covalent MOL file

Alkene Carboxylic acid Nitro

Properties

Molecular formula: C₉H₇NO₄
Molar mass: 193.16 g/mol
Exact mass: 193.0375 Da
Melting point: 240 °C
logP: 1.69Crippen estimate
Polar surface area: 80.4 Å²
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

612-41-9

SMILES

O=C(O)C=Cc1ccccc1[N+](=O)[O-]

InChIKey

BBQDLDVSEDAYAA-UHFFFAOYSA-N

InChI

InChI=1S/C9H7NO4/c11-9(12)6-5-7-3-1-2-4-8(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

2-Propenoic acid, 3-(2-nitrophenyl)-
Cinnamic acid, o-nitro-
o-Nitrocinnamic acid
2-Nitrocinnamic acid
2-Nitrobenzenepropenoic acid
3-(2-Nitrophenyl)propenoic acid
NSC 14018
NSC 638145

Work with 3-(2-Nitrophenyl)-2-propenoic 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

Similar compounds

2-Nitrochalcone7473-93-063 % similar 4,5-Dimethoxy-2-nitrocinnamic acid20567-38-857 % similar 3,4-Methylenedioxy-6-nitrocinnamic acid6315-90-857 % similar 2-Nitrocinnamaldehyde1466-88-255 % similar 4-Chloro-3-nitrocinnamic acid20797-48-254 % similar 2-Chloro-5-nitrocinnamic acid36015-19-754 % similar 2-Formylcinnamic acid130036-17-854 % similar o-Coumaric acid583-17-554 % 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 1-(4-Nitrophenyl)-1,2-propanedione6159-25-7 4-Nitrocinnamic acid619-89-6 6-Nitrochroman-4-one68043-53-8 trans-4-Nitrocinnamic acid882-06-4

Elsewhere

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