chempirical

Pimelic acid

C7H12O4CAS 111-16-0160.17 g/mol

Open in Covalent MOL file
OHOOOH
Carboxylic acid

Properties

Molecular formula
C7H12O4
Molar mass
160.17 g/mol
Exact mass
160.0736 Da
Density
1.0119 g/mL (at 4 °C)
Melting point
106 °C
Boiling point
342 °C
logP
1.11Crippen estimate
Polar surface area
74.6 Ų
H-bond donors / acceptors
2 / 2
Rotatable bonds
6

Identifiers

CAS number
111-16-0
SMILES
O=C(O)CCCCCC(=O)O
InChIKey
WLJVNTCWHIRURA-UHFFFAOYSA-N
InChI
InChI=1S/C7H12O4/c8-6(9)4-2-1-3-5-7(10)11/h1-5H2,(H,8,9)(H,10,11)

Weigh it out

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

Names and synonyms

6 names
  • Heptanedioic acid
  • 1,7-Heptanedioic acid
  • 1,5-Pentanedicarboxylic acid
  • Pileric acid
  • NSC 30112
  • Pimeric acid

Work with Pimelic 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

Same formula

Diethyl malonate105-53-3 Monoethyl glutarate1070-62-8 Dimethyl glutarate1119-40-0 2-Methoxyethyl 3-oxobutanoate22502-03-0 1,3-Dimethyl 2-ethylpropanedioate26717-67-9 Poly(glyceryl methacrylate)28474-30-8 (±)-3-Methyladipic acid3058-01-3 1-Methyl 2,2-dimethylbutanedioate32980-26-0

Elsewhere

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