5-Phenylfuran-2-carboxylic acid

C₁₁H₈O₃CAS 52938-97-3188.18 g/mol

Open in Covalent MOL file

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 Å²
H-bond donors / acceptors: 1 / 2
Rotatable bonds: 2

Hazards

Warning

H302 Harmful if swallowed95.5% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation97.7% of notifiers

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

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

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-furoic 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

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