5-Nitro-2-furoic acid

C5H3NO5CAS 645-12-5157.08 g/mol

Open in Covalent MOL file
OHON+OO−O
Carboxylic acidNitro

Properties

Molecular formula
C5H3NO5
Molar mass
157.08 g/mol
Exact mass
157.0011 Da
Melting point
186 °C
logP
0.89Crippen estimate
Polar surface area
93.6 Ų
H-bond donors / acceptors
1 / 4
Rotatable bonds
2

Hazards

Warning
Irritant (GHS07)Health Hazard (GHS08)

Aggregated from 44 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P203, P264+P265, P280, P305+P351+P338, P318, P337+P317, P405, P501

Identifiers

CAS number
645-12-5
SMILES
O=C(O)c1ccc([N+](=O)[O-])o1
InChIKey
IODMEDPPCXSFLD-UHFFFAOYSA-N
InChI
InChI=1S/C5H3NO5/c7-5(8)3-1-2-4(11-3)6(9)10/h1-2H,(H,7,8)

Weigh it out

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

Names and synonyms

9 names
  • 2-Furancarboxylic acid, 5-nitro-
  • 2-Furoic acid, 5-nitro-
  • 5-Nitro-2-furancarboxylic acid
  • 5-Nitrofuroic acid
  • Nitrofuroic acid
  • Nitrofurate
  • 5-Nitropyromucic acid
  • 5-Nitro-2-furylcarboxylic acid
  • NSC 6452

Work with 5-Nitro-2-furoic 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

5-Nitro-2-furoyl chloride25084-14-461 % similar 5-(4-Nitrophenyl)-2-furancarboxylic acid28123-73-160 % similar 2,5-Furandicarboxylic acid3238-40-257 % similar Methyl 5-nitro-2-furoate1874-23-356 % similar 5-(3-Nitro-phenyl)-furan-2-carboxylic acid13130-13-755 % similar 2-Nitro-1,3-benzenedicarboxylic acid21161-11-551 % similar 5-Nitrobenzofuran-2-carboxylic acid10242-12-351 % similar 2-Nitrobenzoic acid552-16-950 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

PubChem CAS Common Chemistry NIST WebBook