3,4-Dihydro-2H-pyran-2-carboxaldehyde

C₆H₈O₂CAS 100-73-2112.13 g/mol

Open in Covalent MOL file

Aldehyde Alkene Ether

Properties

Molecular formula: C₆H₈O₂
Molar mass: 112.13 g/mol
Exact mass: 112.0524 Da
Density: 1.1764 g/mL (at 20 °C)
Melting point: −130 °C
Boiling point: 88 °C (at 100 Torr)
Flash point: 47.8 °C
logP: 0.88Crippen estimate
Polar surface area: 26.3 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 1

Hazards

Danger

H226 Flammable liquid and vapor100% of notifiers
H312 Harmful in contact with skin50.6% of notifiers
H315 Causes skin irritation53.2% of notifiers
H318 Causes serious eye damage50.6% of notifiers
H332 Harmful if inhaled97.5% of notifiers
H335 May cause respiratory irritation53.2% of notifiers

Aggregated from 79 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P271, P280, P302+P352, P303+P361+P353, P304+P340, P305+P354+P338, P317, P319, P321, P332+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, P501

Identifiers

CAS number

100-73-2

SMILES

O=CC1CCC=CO1

InChIKey

NPWYTMFWRRIFLK-UHFFFAOYSA-N

InChI

InChI=1S/C6H8O2/c7-5-6-3-1-2-4-8-6/h2,4-6H,1,3H2

Weigh it out

Type any one amount. The others follow from the molar mass and density.

Names and synonyms

9 names

2H-Pyran-2-carboxaldehyde, 3,4-dihydro-
Acrolein dimer
2-Formyl-3,4-dihydro-2H-pyran
5-Hexenal, 2,6-epoxy-
2-Propenal, dimer
3,4-Dihydro-2-formyl-2H-pyran
3,4-Dihydro-2H-pyran-2-aldehyde
NSC 95413
3,4-Dihydro-2H-pyran-2-carbaldehyde

Work with 3,4-Dihydro-2H-pyran-2-carboxaldehyde

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

3,4-Dihydro-2H-pyran-2-methanol3749-36-840 % similar 3,4-Dihydro-2-methoxy-2H-pyran4454-05-140 % similar Glycidaldehyde765-34-438 % similar Tetrahydrobenzaldehyde100-50-538 % similar Tetrahydro-2-furancarboxaldehyde7681-84-738 % similar 2-Ethoxy-3,4-dihydro-2H-pyran103-75-338 % similar Cyclopropanecarboxaldehyde1489-69-632 % similar Tetrahydro-2H-pyran-4-carboxaldehyde50675-18-831 % similar

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

Same formula

Sorbic acid110-44-1 2,5-Dimethyl-3(2H)furanone14400-67-0 Vinyl crotonate14861-06-4 1-Acetoxy-1,3-butadiene1515-76-0 1-Cyclopentene-1-carboxylic acid1560-11-8 3-Methylenecyclobutanecarboxylic acid15760-36-8 Glycidyl propargyl ether18180-30-8 3,4-Dihydro-2H-pyran-5-carbaldehyde25090-33-9

Elsewhere

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