Asarone
Properties
- Molecular formula
- C12H16O3
- Molar mass
- 208.26 g/mol
- Exact mass
- 208.1099 Da
- Melting point
- 62–63 °C
- Boiling point
- 296 °C
- logP
- 2.75Crippen estimate
- Polar surface area
- 27.7 Ų
- H-bond donors / acceptors
- 0 / 3
- Rotatable bonds
- 4
- Double bonds
- EE/Z, in SMILES order
Hazards
Warning
- H302 Harmful if swallowed91.5% of notifiers
Aggregated from 130 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P264, P270, P301+P317, P330, P501
Identifiers
CAS number
2883-98-9SMILES
C/C=C/c1cc(OC)c(OC)cc1OCInChIKey
RKFAZBXYICVSKP-AATRIKPKSA-NInChI
InChI=1S/C12H16O3/c1-5-6-9-7-11(14-3)12(15-4)8-10(9)13-2/h5-8H,1-4H3/b6-5+Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
16 names · show all
- Benzene, 1,2,4-trimethoxy-5-(1E)-1-propen-1-yl-
- Benzene, 1,2,4-trimethoxy-5-propenyl-, (E)-
- Benzene, 1,2,4-trimethoxy-5-(1-propenyl)-, (E)-
- Isoasaron
- Benzene, 1,2,4-trimethoxy-5-(1E)-1-propenyl-
- 1,2,4-Trimethoxy-5-(1E)-1-propen-1-ylbenzene
- Asaron
- trans-Asarone
- Asarum camphor
- α-Asarone
- trans-Isoasaron
- trans-Isoasarone
- (E)-Asarone
- α-Asaron
- (E)-1,2,4-Trimethoxy-5-(prop-1-en-1-yl)benzene
- 1,2,4-Trimethoxy-5[(1E)-1-propenyl]benzene
Work with Asarone
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
Stereoisomers, salts and isotopologues
The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.
Similar compounds
2,4,5-Trimethoxybenzaldehyde4460-86-057 % similar
Methyl isoeugenol93-16-353 % similar
3-(2,4,5-Trimethoxyphenyl)-2-propenoic acid24160-53-053 % similar
2,5-Dimethoxyterephthalaldehyde7310-97-650 % similar
2,3,6,7,10,11-Hexamethoxytriphenylene808-57-144 % similar
Isoeugenol97-54-143 % similar
6-Bromoveratraldehyde5392-10-941 % similar
2-Fluoro-4,5-dimethoxybenzaldehyde71924-62-441 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds