5-(tert-Butyl)-2-methyl-3-furoic acid
Properties
- Molecular formula
- C10H14O3
- Molar mass
- 182.22 g/mol
- Exact mass
- 182.0943 Da
- logP
- 2.58Crippen estimate
- Polar surface area
- 50.4 Ų
- H-bond donors / acceptors
- 1 / 2
- Rotatable bonds
- 1
Hazards
Warning
- H302 Harmful if swallowed12.5% of notifiers
- H315 Causes skin irritation87.5% of notifiers
- H319 Causes serious eye irritation100% of notifiers
- H335 May cause respiratory irritation87.5% of notifiers
Aggregated from 8 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
38422-62-7SMILES
CC1=C(C=C(O1)C(C)(C)C)C(=O)OInChIKey
NWWAPYOVUAEIJB-UHFFFAOYSA-NInChI
InChI=1S/C10H14O3/c1-6-7(9(11)12)5-8(13-6)10(2,3)4/h5H,1-4H3,(H,11,12)Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
1 names
- 5-tert-Butyl-2-methylfuran-3-carboxylic acid
Work with 5-(tert-Butyl)-2-methyl-3-furoic acid
Similar compounds
5-(tert-Butyl)-2-methylfuran-3-carbonyl chloride96543-75-862 % similar
2,5-Dimethyl-3-furancarboxylic acid636-44-260 % similar
2-Methyl-5-phenylfuran-3-carboxylic acid108124-17-051 % similar
2-Methyl-3-furancarboxylic acid6947-94-045 % similar
5-Methylisoxazole-4-carboxylic acid42831-50-544 % similar
4,5-Dimethylfuran-2-carboxylic acid89639-83-844 % similar
2,5-Dimethylterephthalic acid6051-66-743 % similar
3,5-Bis(tert-butyl)benzoic acid16225-26-642 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.