chempirical

Suberic acid

C8H14O4CAS 505-48-6174.20 g/mol

Open in Covalent MOL file
OHOOOH
Carboxylic acid

Properties

Molecular formula
C8H14O4
Molar mass
174.20 g/mol
Exact mass
174.0892 Da
Density
1.27 g/mL
Melting point
144 °C
Boiling point
345.5 °C
logP
1.50Crippen estimate
Polar surface area
74.6 Ų
H-bond donors / acceptors
2 / 2
Rotatable bonds
7

Identifiers

CAS number
505-48-6
SMILES
O=C(O)CCCCCCC(=O)O
InChIKey
TYFQFVWCELRYAO-UHFFFAOYSA-N
InChI
InChI=1S/C8H14O4/c9-7(10)5-3-1-2-4-6-8(11)12/h1-6H2,(H,9,10)(H,11,12)

Weigh it out

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

Names and synonyms

8 names
  • Octanedioic acid
  • Hexamethylenedicarboxylic acid
  • 1,6-Hexanedicarboxylic acid
  • 1,8-Octanedioic acid
  • 1,6-Dicarboxyhexane
  • Cork acid
  • NSC 25952
  • NSC 53777

Work with Suberic 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 Boiling point under vacuumAt any pressure, from its normal boiling point Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Pimelic acid111-16-0100 % similar Sebacic acid111-20-6100 % similar Pentadecanedioic acid1460-18-0100 % similar Heptadecanedioic acid2424-90-0100 % similar Eicosanedioic acid2424-92-2100 % similar Brassylic acid505-52-2100 % similar Thapsic acid505-54-4100 % similar Dodecanedioic acid693-23-2100 % similar

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

Same formula

2,3-Diacetoxybutane1114-92-7 1,3-Butylene glycol diacetate1117-31-3 (E)-Ethyl 4,4-dimethoxybut-2-enoate114736-25-3 Diethyl succinate123-25-1 Mono-tert-butyl succinate15026-17-2 1,4-Bis(2-hydroxyethoxy)-2-butyne1606-85-5 Glycol diglycidyl ether2224-15-9 1-(1,1-Dimethylethyl) 3-methyl propanedioate42726-73-8

Elsewhere

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