chempirical

5-(tert-Butyl)-2-methyl-3-furoic acid

C10H14O3CAS 38422-62-7182.22 g/mol

Open in Covalent MOL file
OOHO
Carboxylic 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

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number
38422-62-7
SMILES
CC1=C(C=C(O1)C(C)(C)C)C(=O)O
InChIKey
NWWAPYOVUAEIJB-UHFFFAOYSA-N
InChI
InChI=1S/C10H14O3/c1-6-7(9(11)12)5-8(13-6)10(2,3)4/h5H,1-4H3,(H,11,12)

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Names and synonyms

1 names
  • 5-tert-Butyl-2-methylfuran-3-carboxylic acid

Work with 5-(tert-Butyl)-2-methyl-3-furoic 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 acid636-44-260 % 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 5-tert-Butylisophthalic acid2359-09-342 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

1,1-Cyclohexane diacetic anhydride1010-26-0 3-(Benzyloxy)-1,2-propanediol13071-59-5 Vanillyl ethyl ether13184-86-6 2-(Phenylmethoxy)-1,3-propanediol14690-00-7 3-(Benzyloxy)propane-1,2-diol17325-85-8 2-Acetyldimedone1755-15-3 Anisaldehyde dimethyl acetal2186-92-7 Dihydroconiferyl alcohol2305-13-7

Elsewhere

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