chempirical

Butyl pyruvate

C7H12O3CAS 20279-44-1144.17 g/mol

Open in Covalent MOL file
OOO
EsterKetone

Properties

Molecular formula
C7H12O3
Molar mass
144.17 g/mol
Exact mass
144.0786 Da
logP
0.92Crippen estimate
Polar surface area
43.4 Ų
H-bond donors / acceptors
0 / 3
Rotatable bonds
4

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
20279-44-1
SMILES
CCCCOC(=O)C(=O)C
InChIKey
ZAZUOXBHFXAWMD-UHFFFAOYSA-N
InChI
InChI=1S/C7H12O3/c1-3-4-5-10-7(9)6(2)8/h3-5H2,1-2H3

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Work with Butyl pyruvate

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-Butoxyethyl methacrylate13532-94-050 % similar 2-Butoxyethanol acetate112-07-244 % similar 1,12-Dodecanediol dimethacrylate72829-09-544 % similar (±)-Butyl 2-methylbutanoate15706-73-742 % similar (Z)-7-Dodecenyl acetate14959-86-539 % similar (Z)-11-Hexadecenyl acetate34010-21-439 % similar 1,3-Diacetoxypropane628-66-037 % similar (Z)-8-Dodecenyl acetate28079-04-136 % similar

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

Same formula

Ethyl 3-ethoxy-2-propenoate1001-26-9 Methyl tetrahydropyran-4-carboxylate110238-91-0 4-(2-Hydroxypropoxy)-2-butyn-1-ol1606-79-7 Ethyl tetrahydrofuroate16874-34-3 4-Hydroxycyclohexanecarboxylic acid17419-81-7 Methyl tetrahydropyran-3-carboxylate18729-20-9 Ethyl 3-methyl-2-oxobutanoate20201-24-5 2H-Pyran-4-carboxylicacid,tetrahydro-4-methyl-(9ci)233276-38-5

Elsewhere

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