Methyl 5-methyl-2-furancarboxylate

C7H8O3CAS 2527-96-0140.14 g/mol

Open in Covalent MOL file
OOO
Ester

Properties

Molecular formula
C7H8O3
Molar mass
140.14 g/mol
Exact mass
140.0473 Da
Boiling point
205 °C
logP
1.37Crippen estimate
Polar surface area
39.4 Ų
H-bond donors / acceptors
0 / 3
Rotatable bonds
1

Hazards

Warning
Irritant (GHS07)

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

Precautionary statements

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

Identifiers

CAS number
2527-96-0
SMILES
COC(=O)c1ccc(C)o1
InChIKey
XBYZJUMTKHUJIY-UHFFFAOYSA-N
InChI
InChI=1S/C7H8O3/c1-5-3-4-6(10-5)7(8)9-2/h3-4H,1-2H3

Weigh it out

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Names and synonyms

4 names
  • 2-Furancarboxylic acid, 5-methyl-, methyl ester
  • 2-Furoic acid, 5-methyl-, methyl ester
  • Methyl 5-methyl-2-furoate
  • 5-Methyl-2-furoic acid methyl ester

Work with Methyl 5-methyl-2-furancarboxylate

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 Boiling point under vacuumAt any pressure, from its normal boiling point Isotope patternExact mass and the mass spectrum pattern

Similar compounds

2,5-Dimethyl 2,5-furandicarboxylate4282-32-074 % similar Methyl 5-amino-2-furoate22600-30-261 % similar Methyl 5-bromo-2-furoate2527-99-361 % similar Methyl 5-(chloromethyl)-2-furoate2144-37-856 % similar 2-Acetyl-5-methylfuran1193-79-953 % similar Methyl 5-nitro-2-furoate1874-23-353 % similar 5-Methylfuran-2-carbonyl chloride14003-11-352 % similar 5-Methyl-2-furoic acid1917-15-352 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Ethyl 2-furoate1335-40-6 5-Methoxyresorcinol2174-64-3 3,5-Dihydroxybenzyl alcohol29654-55-5 Rel-(3aR,6aS)-Tetrahydro-1H-cyclopenta[c]furan-1,3(3aH)-dione35878-28-5 2-Acetyl-1,3-cyclopentanedione3859-39-0 3,4-Dihydroxybenzyl alcohol3897-89-0 Ethyl maltol4940-11-8 Methyl 3-methyl-2-furancarboxylate6141-57-7

Elsewhere

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