Home Other Building Blocks 2-(Benzyloxy)nicotinic acid

2-(Benzyloxy)nicotinic acid

CAS No.:
14178-18-8
Catalog Number:
AG001H6C
Molecular Formula:
C13H11NO3
Molecular Weight:
229.2313
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
95%
In Stock USA
United States
$672
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Product Description
Catalog Number:
AG001H6C
Chemical Name:
2-(Benzyloxy)nicotinic acid
CAS Number:
14178-18-8
Molecular Formula:
C13H11NO3
Molecular Weight:
229.2313
MDL Number:
MFCD00442989
IUPAC Name:
2-phenylmethoxypyridine-3-carboxylic acid
InChI:
InChI=1S/C13H11NO3/c15-13(16)11-7-4-8-14-12(11)17-9-10-5-2-1-3-6-10/h1-8H,9H2,(H,15,16)
InChI Key:
FUNQFOUBLCEFIK-UHFFFAOYSA-N
SMILES:
OC(=O)c1cccnc1OCc1ccccc1
Properties
Complexity:
251  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
229.074g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
229.235g/mol
Monoisotopic Mass:
229.074g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
59.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2  
Literature
Title Journal
Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. Bioorganic & medicinal chemistry letters 20101101
Properties