General
Preferred name
Nonanoic acid
Synonyms
PELARGONIC ACID ()
Nonoic acid ()
pelargonic acid, Nonoic acid ()
NONANOATE ()
P&D ID
PD002546
CAS
112-05-0
58253-02-4
Tags
available
Structure
Probe scores
P&D probe-likeness score
[[ v.score ]]%
Structure formats
[[ format ]]
[[ compound[format === 'MOL' ? 'molblock' : format.toLowerCase()] ]]
Description
(extracted from source data)
DESCRIPTION Nonanoic acid is a naturally-occurring saturated fatty acid with nine carbon atoms. Nonanoic acid significantly reduces bacterial translocation, enhances antibacterial activity, and remarkably increases the secretion of porcine ¦Â-defensins 1 (pBD-1) and pBD-2[1].
PRICE 29
DESCRIPTION Nonanoic acid is a naturally occurring fatty acid found in both vegetable and animal fats. Nonanoic acid significantly reduces bacterial translocation, enhances antibacterial activity. It is used in indoor and outdoor weed control and as cleansing and emulsifying agents in cosmetics. (Enamine Bioactive Compounds)
DESCRIPTION Nonanoic acid (Nonoic acid) is a fatty acid which occurs naturally as esters are the oil of pelargonium. Synthetic esters, such as methyl nonanoate, are used as flavorings. Pelargonic acid is an organic compound composed of a nine-carbon chain terminating in a carboxylic acid. It is an oily liquid with an unpleasant, rancid odor. It is nearly insoluble in water, but well soluble in chloroform and ether. (TargetMol Bioactive Compound Library)
Compound Sets
6
Cayman Chemical Bioactives
26718
Enamine Bioactive Compounds
EBC-46124
MedChem Express Bioactive Compound Library
HY-N7057
ReFrame library
Selleckchem Bioactive Compound Library
nonanoic-acid
TargetMol Bioactive Compound Library
T3947
External IDs
34
Properties
(calculated by RDKit )
Molecular Weight
158.13
Hydrogen Bond Acceptors
1
Hydrogen Bond Donors
1
Rotatable Bonds
7
Ring Count
0
Aromatic Ring Count
0
cLogP
2.82
TPSA
37.3
Fraction CSP3
0.89
Chiral centers
0.0
Largest ring
0.0
QED
0.58
Structural alerts
0
No structural alerts detected
Custom attributes
(extracted from source data)
Target
Bacterial
Endogenous Metabolite
Pathway
Microbiology/virology
Anti-infection
Metabolic Enzyme/Protease
Source data