chempirical

Nonadecanedioic acid

C19H36O4CAS 6250-70-0328.49 g/mol

Open in Covalent MOL file
OHOOOH
Carboxylic acid

Properties

Molecular formula
C19H36O4
Molar mass
328.49 g/mol
Exact mass
328.2614 Da
logP
5.79Crippen estimate
Polar surface area
74.6 Ų
H-bond donors / acceptors
2 / 2
Rotatable bonds
18

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number
6250-70-0
SMILES
C(CCCCCCCCC(=O)O)CCCCCCCCC(=O)O
InChIKey
IFAWYXIHOVRGHQ-UHFFFAOYSA-N
InChI
InChI=1S/C19H36O4/c20-18(21)16-14-12-10-8-6-4-2-1-3-5-7-9-11-13-15-17-19(22)23/h1-17H2,(H,20,21)(H,22,23)

Weigh it out

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Work with Nonadecanedioic 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

Pimelic acid111-16-0100 % similar Sebacic acid111-20-6100 % similar Azelaic acid123-99-9100 % similar Pentadecanedioic acid1460-18-0100 % similar Undecanedioic acid1852-04-6100 % similar Heptadecanedioic acid2424-90-0100 % similar Eicosanedioic acid2424-92-2100 % similar Suberic acid505-48-6100 % similar

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

Same formula

2-Hexadecylpropanedioic acid4371-64-6 15-(tert-Butoxy)-15-oxopentadecanoic acid905302-42-3

Elsewhere

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