chempirical

Ortho-vanillin

C8H8O3CAS 148-53-8152.15 g/mol

Open in Covalent MOL file
OOHO
AlcoholAldehyde

Properties

Molecular formula
C8H8O3
Molar mass
152.15 g/mol
Exact mass
152.0473 Da
Density
1.2065 g/mL (at 50.6 °C)
Melting point
44.5 °C
Boiling point
265.5 °C
logP
1.21Crippen estimate
Polar surface area
46.5 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
2

Identifiers

CAS number
148-53-8
SMILES
COc1cccc(C=O)c1O
InChIKey
JJVNINGBHGBWJH-UHFFFAOYSA-N
InChI
InChI=1S/C8H8O3/c1-11-7-4-2-3-6(5-9)8(7)10/h2-5,10H,1H3

Weigh it out

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

Names and synonyms

14 names · show all
  • Benzaldehyde, 2-hydroxy-3-methoxy-
  • m-Anisaldehyde, 2-hydroxy-
  • o-Vanillin
  • 2-Hydroxy-3-methoxybenzaldehyde
  • 6-Formylguaiacol
  • 3-Methoxy-2-hydroxybenzaldehyde
  • 3-Methoxysalicylaldehyde
  • 6-Formyl-2-methoxyphenol
  • 2-Hydroxy-m-anisaldehyde
  • NC 005
  • 2-Vanillin
  • NSC 2150
  • 2-Hydroxyl-3-methoxybenzaldehyde
  • o-Vaniline

Work with Ortho-vanillin

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

Same formula

P-Anisic acid100-09-4 Acetylresorcinol102-29-4 Phenylglyoxal1075-06-5 Methyl salicylate119-36-8 3′,4′-Dihydroxyacetophenone1197-09-7 Vanillin121-33-5 Phenoxyacetic acid122-59-8 4-Hydroxyphenylacetic acid156-38-7

Elsewhere

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