Isovanillin
Properties
- Molecular formula
- C8H8O3
- Molar mass
- 152.15 g/mol
- Exact mass
- 152.0473 Da
- Density
- 1.4 g/mL
- Melting point
- 114 °C
- Boiling point
- 179 °C
- logP
- 1.21Crippen estimate
- Polar surface area
- 46.5 Ų
- H-bond donors / acceptors
- 1 / 3
- Rotatable bonds
- 2
Identifiers
CAS number
621-59-0SMILES
COc1ccc(C=O)cc1OInChIKey
JVTZFYYHCGSXJV-UHFFFAOYSA-NInChI
InChI=1S/C8H8O3/c1-11-8-3-2-6(5-9)4-7(8)10/h2-5,10H,1H3Weigh it out
Type any one amount. The others follow from the molar mass and density.
Names and synonyms
11 names
- Benzaldehyde, 3-hydroxy-4-methoxy-
- p-Anisaldehyde, 3-hydroxy-
- 3-Hydroxy-4-methoxybenzaldehyde
- 5-Formylguaiacol
- 3-Hydroxy-p-anisaldehyde
- Isovanillic aldehyde
- 4-Methoxy-3-hydroxybenzaldehyde
- 3-Hydroxy-4-anisaldehyde
- 5-Formyl-2-methoxyphenol
- 2-Methoxy-5-formylphenol
- NSC 82996
Work with Isovanillin
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
Similar compounds
3,4-Dihydroxy-5-methoxybenzaldehyde3934-87-063 % similar
4-Methoxy-3-methylbenzaldehyde32723-67-462 % similar
3-Iodo-4-methoxybenzaldehyde2314-37-660 % similar
3-Bromo-4-methoxybenzaldehyde34841-06-060 % similar
3-Fluoro-4-methoxybenzaldehyde351-54-260 % similar
3-Chloro-4-methoxybenzaldehyde4903-09-760 % similar
Combretastatin A-4117048-59-659 % similar
2-Methoxy-5-formylphenylboronic acid127972-02-559 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds