General
Preferred name
NSC 3778
Synonyms
o-Anisic acid ()
O-Methylsalicylic acid ()
Salicylic acid methyl ether ()
2-Methoxybenzoic acid ()
P&D ID
PD100258
CAS
529-75-9
579-75-9
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 2-Methoxybenzoic acid (NSC 3778) is used as an internal standard of salicylic acid and its putative biosynthetic precursors in cucumber leaves. Another known use is in the synthesis of Benextramine.
PRICE 29
DESCRIPTION 2-Methoxybenzoic acid (o-Anisic acid) is a novel antiemetic which prevents nausea and vomiting in humans. (TargetMol Bioactive Compound Library)
Compound Sets
3
MedChem Express Bioactive Compound Library
HY-N1393
Selleckchem Bioactive Compound Library
2-methoxybenzoic-acid
TargetMol Bioactive Compound Library
T5874
External IDs
27
Properties
(calculated by RDKit )
Molecular Weight
152.05
Hydrogen Bond Acceptors
2
Hydrogen Bond Donors
1
Rotatable Bonds
2
Ring Count
1
Aromatic Ring Count
1
cLogP
1.39
TPSA
46.53
Fraction CSP3
0.12
Chiral centers
0.0
Largest ring
6.0
QED
0.7
Structural alerts
0
No structural alerts detected
Custom attributes
(extracted from source data)
Target
Endogenous Metabolite
Human Endogenous Metabolite
Pathway
Metabolism
Metabolic Enzyme/Protease
Source data