chempirical

5-Phenylfuran-2-carboxylic acid

C11H8O3CAS 52938-97-3188.18 g/mol

Open in Covalent MOL file
OOOH
Carboxylic acid

Properties

Molecular formula
C11H8O3
Molar mass
188.18 g/mol
Exact mass
188.0473 Da
logP
2.64Crippen estimate
Polar surface area
50.4 Ų
H-bond donors / acceptors
1 / 2
Rotatable bonds
2

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
52938-97-3
SMILES
C1=CC=C(C=C1)C2=CC=C(O2)C(=O)O
InChIKey
GUOMINFEASCICM-UHFFFAOYSA-N
InChI
InChI=1S/C11H8O3/c12-11(13)10-7-6-9(14-10)8-4-2-1-3-5-8/h1-7H,(H,12,13)

Weigh it out

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

Names and synonyms

1 names
  • 5-Phenyl-2-furoic acid

Work with 5-Phenylfuran-2-carboxylic 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-(4-Chlorophenyl)-2-furoic acid41019-45-868 % similar 5-(4-Fluorophenyl)furan-2-carboxylic acid73269-32-668 % similar 5-(3-Chlorophenyl)-2-furancarboxylic acid41019-44-767 % similar 5-(4-Methoxyphenyl)-2-furancarboxylic acid52938-99-562 % similar 2,5-Furandicarboxylic acid3238-40-261 % similar 5-(3-(Trifluoromethyl)phenyl)-2-furoic acid54022-99-060 % similar 5-(2-Chlorophenyl)-2-furoic acid41019-43-659 % similar 5-(4-Nitrophenyl)-2-furancarboxylic acid28123-73-159 % similar

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

Same formula

6-Hydroxy-2-naphthoic acid16712-64-4 2-Hydroxy-1-naphthoic acid2283-08-1 6-Hydroxy-1-naphthoic acid2437-17-4 3-Acetylcoumarin3949-36-8 3-Formyl-6-methylchromone42059-81-4 Plumbagin481-42-5 1-Hydroxy-2-naphthoic acid86-48-6 3-Hydroxy-2-naphthoic acid92-70-6

Elsewhere

PubChem CAS Common Chemistry NIST WebBook