chempirical

Undecanedioic acid

C11H20O4CAS 1852-04-6216.28 g/mol

Open in Covalent MOL file
OHOOOH
Carboxylic acid

Properties

Molecular formula
C11H20O4
Molar mass
216.28 g/mol
Exact mass
216.1362 Da
Melting point
109–111 °C
Boiling point
170–174 °C (at NaN Torr)
logP
2.67Crippen estimate
Polar surface area
74.6 Ų
H-bond donors / acceptors
2 / 2
Rotatable bonds
10

Hazards

Warning
Irritant (GHS07)

Aggregated from 751 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, P362+P364

Identifiers

CAS number
1852-04-6
SMILES
O=C(O)CCCCCCCCCC(=O)O
InChIKey
LWBHHRRTOZQPDM-UHFFFAOYSA-N
InChI
InChI=1S/C11H20O4/c12-10(13)8-6-4-2-1-3-5-7-9-11(14)15/h1-9H2,(H,12,13)(H,14,15)

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Names and synonyms

3 names
  • 1,9-Nonanedicarboxylic acid
  • Hendecanedioic acid
  • NSC 400241

Reactions

Work with Undecanedioic 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 Heptadecanedioic acid2424-90-0100 % similar Eicosanedioic acid2424-92-2100 % similar Suberic acid505-48-6100 % similar Brassylic acid505-52-2100 % similar

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

Same formula

Diethyl isobutylmalonate10203-58-4 1,3-Diethyl 2-butylpropanedioate133-08-4 Dimethyl azelate1732-10-1 Neopentyl glycol diglycidyl ether17557-23-2 Diethyl pimelate2050-20-6 2,2,6,6-Tetramethylpimelic acid2941-45-9 1,3-Bis(1,1-dimethylethyl) propanedioate541-16-2 Butyl butyryllactate7492-70-8

Elsewhere

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