Tulipalin A
Properties
- Molecular formula
- C5H6O2
- Molar mass
- 98.10 g/mol
- Exact mass
- 98.0368 Da
- Density
- 1.1206 g/mL (at 20 °C)
- Melting point
- below 25 °C
- Boiling point
- 58.5 °C
- logP
- 0.49Crippen estimate
- Polar surface area
- 26.3 Ų
- H-bond donors / acceptors
- 0 / 2
- Rotatable bonds
- 0
Hazards
Warning
- H226 Flammable liquid and vapor100% of notifiers
- H317 May cause an allergic skin reaction100% of notifiers
Aggregated from 42 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P210, P233, P240, P241, P242, P243, P261, P272, P280, P302+P352, P303+P361+P353, P321, P333+P317, P362+P364, P370+P378, P403+P235, P501
Identifiers
CAS number
547-65-9SMILES
C=C1CCOC1=OInChIKey
GSLDEZOOOSBFGP-UHFFFAOYSA-NInChI
InChI=1S/C5H6O2/c1-4-2-3-7-5(4)6/h1-3H2Weigh it out
Type any one amount. The others follow from the molar mass and density.
Names and synonyms
18 names · show all
- 2(3H)-Furanone, dihydro-3-methylene-
- Butyric acid, 4-hydroxy-2-methylene-, γ-lactone
- Dihydro-3-methylene-2(3H)-furanone
- 4,5-Dihydro-3-methylene-2(3H)-furanone
- α-Methylenebutyrolactone
- α-Methylene-γ-butyrolactone
- Tetrahydro-3-methylene-2-furanone
- 2-Methylene-4-butanolide
- 2-Methylene-γ-butyrolactone
- 3-Methylenedihydrofuran-2-one
- NSC 205367
- Securolide
- LMSV 6
- 3-Methylenedihydrofuran-2(3H)-one
- Tulipaline
- 2-Methylenebutyrolactone
- 3-Methylideneoxolan-2-one
- Alpha-Methylene butyrolactone
Work with Tulipalin A
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
Boiling point under vacuumAt any pressure, from its normal boiling point
Isotope patternExact mass and the mass spectrum pattern
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Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds