Nonadecanedioic acid

C₁₉H₃₆O₄CAS 6250-70-0328.49 g/mol

Open in Covalent MOL file

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 Å²
H-bond donors / acceptors: 2 / 2
Rotatable bonds: 18

Hazards

Warning

H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation50% of notifiers

Aggregated from 2 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

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

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

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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