Pimelic 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
Hazards
Warning
- H315 Causes skin irritation27.9% of notifiers
- H319 Causes serious eye irritation88.8% of notifiers
- H335 May cause respiratory irritation87.2% of notifiers
Aggregated from 179 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
111-16-0SMILES
O=C(O)CCCCCC(=O)OInChIKey
WLJVNTCWHIRURA-UHFFFAOYSA-NInChI
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
Reactions
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
Similar compounds
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
Brassylic acid505-52-2100 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.