3-Nitro-4-propoxybenzoic acid

C₁₀H₁₁NO₅CAS 35288-44-9225.20 g/mol

Open in Covalent MOL file

Carboxylic acid Ether Nitro

Properties

Molecular formula: C₁₀H₁₁NO₅
Molar mass: 225.20 g/mol
Exact mass: 225.0637 Da
logP: 2.08Crippen estimate
Polar surface area: 89.7 Å²
H-bond donors / acceptors: 1 / 4
Rotatable bonds: 5

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

35288-44-9

SMILES

CCCOC1=C(C=C(C=C1)C(=O)O)[N+](=O)[O-]

InChIKey

NKACWRJUOBYVGP-UHFFFAOYSA-N

InChI

InChI=1S/C10H11NO5/c1-2-5-16-9-4-3-7(10(12)13)6-8(9)11(14)15/h3-4,6H,2,5H2,1H3,(H,12,13)

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Names and synonyms

1 names

4-Propoxy-3-nitrobenzoic acid

Work with 3-Nitro-4-propoxybenzoic 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

4-Methoxy-3-nitrobenzoic acid89-41-869 % similar 4-Ethyl-3-nitrobenzoic acid103440-95-562 % similar 3,4-Dinitrobenzoic acid528-45-060 % similar 4-Bromomethyl-3-nitrobenzoic acid55715-03-260 % similar 4-Methyl-3-nitrobenzoic acid96-98-059 % similar 3-Methoxy-4-nitrobenzoic acid5081-36-758 % similar Nitroterephthalic acid610-29-758 % similar 4-Hydroxy-3-nitrobenzoic acid616-82-057 % similar

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

Same formula

(2R,3R)-Tartranilic acid3019-58-7 1-(4,5-Dimethoxy-2-nitrophenyl)ethanone4101-32-0 2-(((Benzyloxy)carbonyl)amino)-2-hydroxyacetic acid56538-57-9

Elsewhere

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