2-Methyl-5-phenylfuran-3-carboxylic acid

C₁₂H₁₀O₃CAS 108124-17-0202.21 g/mol

Open in Covalent MOL file

Carboxylic acid

Properties

Molecular formula: C₁₂H₁₀O₃
Molar mass: 202.21 g/mol
Exact mass: 202.0630 Da
logP: 2.95Crippen estimate
Polar surface area: 50.4 Å²
H-bond donors / acceptors: 1 / 2
Rotatable bonds: 2

Hazards

Danger

H314 Causes severe skin burns and eye damage16.7% of notifiers
H315 Causes skin irritation83.3% of notifiers
H319 Causes serious eye irritation83.3% of notifiers
H335 May cause respiratory irritation83.3% of notifiers

Aggregated from 6 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P260, P261, P264, P264+P265, P271, P280, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P319, P321, P332+P317, P337+P317, P362+P364, P363, P403+P233, P405, P501

Identifiers

CAS number

108124-17-0

SMILES

CC1=C(C=C(O1)C2=CC=CC=C2)C(=O)O

InChIKey

VLMNACSEESRUAK-UHFFFAOYSA-N

InChI

InChI=1S/C12H10O3/c1-8-10(12(13)14)7-11(15-8)9-5-3-2-4-6-9/h2-7H,1H3,(H,13,14)

Weigh it out

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

Work with 2-Methyl-5-phenylfuran-3-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

2,5-Dimethyl-3-furancarboxylic acid636-44-257 % similar 5-Phenylfuran-2-carboxylic acid52938-97-351 % similar 5-Phenylisoxazole-3-carboxylic acid14441-90-851 % similar 5-(tert-Butyl)-2-methyl-3-furoic acid38422-62-751 % similar 5-Methyl-3-phenylisoxazole-4-carboxylic acid1136-45-448 % similar 1-Biphenyl-2-carboxylic acid947-84-247 % similar 3-Acetyl-5-(4-chlorophenyl)-2-methylfuran43020-12-847 % similar 2-Methyl-3-furancarboxylic acid6947-94-046 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

2-Naphthoxyacetic acid120-23-0 4-Methoxy-1-naphthalenecarboxylic acid13041-62-8 4,4′-Dihydroxydiphenyl ether1965-09-9 6-Methoxy-2-naphthoic acid2471-70-7 Naphthoxyacetic acid2976-75-2 6-Methoxy-1-naphthoic acid36112-61-5 6-Ethyl-3-formylchromone42059-78-9 5,7-Dimethyl-4-oxo-4H-chromene-3-carbaldehyde62484-76-8

Elsewhere

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