Methyl tetrahydropyran-4-carboxylate

C7H12O3CAS 110238-91-0144.17 g/mol

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EsterEther

Properties

Molecular formula
C7H12O3
Molar mass
144.17 g/mol
Exact mass
144.0786 Da
Melting point
78 °C
Boiling point
80.5–81 °C (at 16 Torr)
logP
0.59Crippen estimate
Polar surface area
35.5 Ų
H-bond donors / acceptors
0 / 3
Rotatable bonds
1

Hazards

Danger
Corrosive (GHS05)

Aggregated from 106 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P264+P265, P273, P280, P305+P354+P338, P317, P501

Identifiers

CAS number
110238-91-0
SMILES
COC(=O)C1CCOCC1
InChIKey
CNCMVGXVKBJYNU-UHFFFAOYSA-N
InChI
InChI=1S/C7H12O3/c1-9-7(8)6-2-4-10-5-3-6/h6H,2-5H2,1H3

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Names and synonyms

5 names
  • 2H-Pyran-4-carboxylic acid, tetrahydro-, methyl ester
  • Tetrahydropyran-4-carboxylic acid methyl ester
  • Methyl tetrahydro-2H-pyran-4-carboxylate
  • 4-(Methoxycarbonyl)tetrahydropyran
  • Tetrahydro-2H-pyran-4-carboxylic acid methyl ester

Work with Methyl tetrahydropyran-4-carboxylate

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

Methyl cyclopropanecarboxylate2868-37-374 % similar 1,4-Dimethyl trans-1,4-cyclohexanedicarboxylate3399-22-274 % similar Dimethyl 1,4-cyclohexanedicarboxylate94-60-074 % similar Methyl cyclopentanecarboxylate4630-80-268 % similar Cyclobutanecarboxylic acid methyl ester765-85-568 % similar Methyl cyclohexanecarboxylate4630-82-465 % similar 1,3-Dimethyl 1,3-cyclopentanedicarboxylate2435-36-162 % similar Methyl isonipecotate2971-79-161 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Ethyl 3-ethoxy-2-propenoate1001-26-9 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 Butyl pyruvate20279-44-1 2H-Pyran-4-carboxylicacid,tetrahydro-4-methyl-(9ci)233276-38-5

Elsewhere

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