chempirical

Melissic acid

C30H60O2CAS 506-50-3452.81 g/mol

Open in Covalent MOL file
OOH
Carboxylic acid

Properties

Molecular formula
C30H60O2
Molar mass
452.81 g/mol
Exact mass
452.4593 Da
Melting point
93.6 °C
logP
11.01Crippen estimate
Polar surface area
37.3 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
28

Identifiers

CAS number
506-50-3
SMILES
CCCCCCCCCCCCCCCCCCCCCCCCCCCCCC(=O)O
InChIKey
VHOCUJPBKOZGJD-UHFFFAOYSA-N
InChI
InChI=1S/C30H60O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30(31)32/h2-29H2,1H3,(H,31,32)

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

Names and synonyms

4 names
  • Triacontanoic acid
  • n-Triacontanoic acid
  • Myricic acid
  • NSC 53832

Work with Melissic acid

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

Enanthic acid111-14-8100 % similar Pelargonic acid112-05-0100 % similar Undecylic acid112-37-8100 % similar Behenic acid112-85-6100 % similar Caprylic acid124-07-2100 % similar Lauric acid143-07-7100 % similar Heneicosylic acid2363-71-5100 % similar Tricosylic acid2433-96-7100 % similar

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

Elsewhere

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