chempirical

3-(4-Nitrophenyl)propionic acid

C9H9NO4CAS 16642-79-8195.17 g/mol

Open in Covalent MOL file
OHON+OO−
AlcoholCarboxylic AcidNitroTertiary Amine

Properties

Molecular formula
C9H9NO4
Molar mass
195.17 g/mol
Exact mass
195.0532 Da
Melting point
131 °C
logP
1.61Crippen estimate
Polar surface area
80.4 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
4

Identifiers

CAS number
16642-79-8
SMILES
O=C(O)CCc1ccc([N+](=O)[O-])cc1
InChIKey
VZOPVJNBOQOLPN-UHFFFAOYSA-N
InChI
InChI=1S/C9H9NO4/c11-9(12)6-3-7-1-4-8(5-2-7)10(13)14/h1-2,4-5H,3,6H2,(H,11,12)

Weigh it out

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

Names and synonyms

10 names
  • Benzenepropanoic acid, 4-nitro-
  • Hydrocinnamic acid, p-nitro-
  • 4-Nitrobenzenepropanoic acid
  • 4-Nitrohydrocinnamic acid
  • p-Nitrohydrocinnamic acid
  • β-(4-Nitrophenyl)propionic acid
  • 3-(p-Nitrophenyl)propionic acid
  • 3-(4-Nitrophenyl)propanoic acid
  • NSC 99345
  • 3-(p-Nitrophenyl)propionoic acid

Work with 3-(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

Same formula

5-Ethyl-2,3-pyridinedicarboxylic acid102268-15-5 4-Ethyl-3-nitrobenzoic acid103440-95-5 2-Hydroxyhippuric acid16555-77-4 2-(4-Nitrophenyl)propionic acid19910-33-9 2-Methyl-3-nitrobenzeneacetic acid23876-15-5 Methyl 3-methyl-4-nitrobenzoate24078-21-5 Salicylamide O-acetic acid25395-22-6 1-Methyl 5-amino-1,3-benzenedicarboxylate28179-47-7

Elsewhere

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