5-(Hydroxymethyl)-2-furancarboxylic acid
Properties
- Molecular formula
- C6H6O4
- Molar mass
- 142.11 g/mol
- Exact mass
- 142.0266 Da
- Melting point
- 165 °C
- logP
- 0.47Crippen estimate
- Polar surface area
- 70.7 Ų
- H-bond donors / acceptors
- 2 / 3
- Rotatable bonds
- 2
Hazards
Warning
- H315 Causes skin irritation100% of notifiers
- H319 Causes serious eye irritation100% of notifiers
- H335 May cause respiratory irritation97.6% of notifiers
Aggregated from 42 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
6338-41-6SMILES
O=C(O)c1ccc(CO)o1InChIKey
PCSKKIUURRTAEM-UHFFFAOYSA-NInChI
InChI=1S/C6H6O4/c7-3-4-1-2-5(10-4)6(8)9/h1-2,7H,3H2,(H,8,9)Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
9 names
- 2-Furancarboxylic acid, 5-(hydroxymethyl)-
- 2-Furoic acid, 5-(hydroxymethyl)-
- Sumiki's acid
- 5-(Hydroxymethyl)-2-furoic acid
- Sumikis' acid
- 2-(Hydroxymethyl)furan-5-carboxylic acid
- NSC 40739
- 5-Hydroxymethyl-2-furanoic acid
- 5-Hydroxymethyl-2-furoic acid
Work with 5-(Hydroxymethyl)-2-furancarboxylic acid
Similar compounds
2,5-Furandicarboxylic acid3238-40-263 % similar
5-(Pyrrolidin-1-ylmethyl)furan-2-carboxylic acid400750-49-458 % similar
5-(Piperidin-1-ylmethyl)furan-2-carboxylic acid301353-36-657 % similar
2,5-Bis(hydroxymethyl)furan1883-75-652 % similar
5-Methyl-2-furoic acid1917-15-352 % similar
5-Bromo-2-furancarboxylic acid585-70-652 % similar
5-Chlorofuran-2-carboxylic acid618-30-452 % similar
5-Formyl-2-furancarboxylic acid13529-17-449 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds