2-(4-Nitrophenyl)propionic acid

C9H9NO4CAS 19910-33-9195.17 g/mol

Open in Covalent MOL file
OHON+OO−
Carboxylic acidNitro

Properties

Molecular formula
C9H9NO4
Molar mass
195.17 g/mol
Exact mass
195.0532 Da
Melting point
100–100.5 °C
logP
1.78Crippen estimate
Polar surface area
80.4 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
3

Hazards

Warning
Irritant (GHS07)

Aggregated from 41 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number
19910-33-9
SMILES
CC(C(=O)O)c1ccc([N+](=O)[O-])cc1
InChIKey
RBSRRICSXWXMRC-UHFFFAOYSA-N
InChI
InChI=1S/C9H9NO4/c1-6(9(11)12)7-2-4-8(5-3-7)10(13)14/h2-6H,1H3,(H,11,12)

Weigh it out

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

Names and synonyms

6 names
  • Benzeneacetic acid, α-methyl-4-nitro-
  • Hydratropic acid, p-nitro-
  • α-Methyl-4-nitrobenzeneacetic acid
  • 2-(p-Nitrophenyl)propionic acid
  • 2-(4-Nitrophenyl)propanoic acid
  • (±)-2-(4-Nitrophenyl)propionic acid

Work with 2-(4-Nitrophenyl)propionic 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

α-Ethyl-4-nitrobenzeneacetic acid7463-53-863 % similar 2-(4-Hydroxyphenyl)propionic acid938-96-558 % similar 2-(4-Tolyl)propanoic acid938-94-357 % similar 1-Isopropyl-4-nitrobenzene1817-47-656 % similar 2-Phenylpropionic acid492-37-556 % similar (+)-2-Phenylpropionic acid7782-24-356 % similar (-)-2-Phenylpropionic acid7782-26-556 % similar DL-2-(4-chlorophenyl)propanoic acid938-95-455 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

5-Ethyl-2,3-pyridinedicarboxylic acid102268-15-5 4-Ethyl-3-nitrobenzoic acid103440-95-5 2-Hydroxyhippuric acid16555-77-4 3-(4-Nitrophenyl)propionic acid16642-79-8 3-(3-Nitrophenyl)propionic acid1664-57-9 2-Methyl-3-nitrobenzeneacetic acid23876-15-5 Methyl 3-methyl-4-nitrobenzoate24078-21-5 2-Amino-3-(methoxycarbonyl)benzoic acid253120-47-7

Elsewhere

PubChem CAS Common Chemistry NIST WebBook