9-Hydroxynonanoic acid

C9H18O3CAS 3788-56-5174.24 g/mol

Open in Covalent MOL file
OHOOH
AlcoholCarboxylic acid

Properties

Molecular formula
C9H18O3
Molar mass
174.24 g/mol
Exact mass
174.1256 Da
Melting point
53–54 °C
logP
1.79Crippen estimate
Polar surface area
57.5 Ų
H-bond donors / acceptors
2 / 2
Rotatable bonds
8

Hazards

Warning
Irritant (GHS07)

Aggregated from 39 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
3788-56-5
SMILES
O=C(O)CCCCCCCCO
InChIKey
AFZMICRBFKZNIH-UHFFFAOYSA-N
InChI
InChI=1S/C9H18O3/c10-8-6-4-2-1-3-5-7-9(11)12/h10H,1-8H2,(H,11,12)

Weigh it out

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

Names and synonyms

3 names
  • Nonanoic acid, 9-hydroxy-
  • 9-Hydroxypelargonic acid
  • ω-Hydroxynonanoic acid

Work with 9-Hydroxynonanoic 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

10-Hydroxydecanoic acid1679-53-4100 % similar 11-Hydroxyundecanoic acid3669-80-5100 % similar 15-Hydroxypentadecanoic acid4617-33-8100 % similar 12-Hydroxydodecanoic acid505-95-3100 % similar Juniperic acid506-13-8100 % similar Polybutylene succinate25777-14-481 % similar Pimelic acid111-16-075 % similar Sebacic acid111-20-675 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Diisobutyl carbonate539-92-4 Dibutyl carbonate542-52-9 tert-Butyl peroxypivalate927-07-1

Elsewhere

PubChem CAS Common Chemistry NIST WebBook