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Home Carboxys Methyl 5-(2-thienyl)isoxazole-3-carboxylate

Methyl 5-(2-thienyl)isoxazole-3-carboxylate

CAS No.:
517870-23-4
Catalog Number:
AG003RWE
Molecular Formula:
C9H7NO3S
Molecular Weight:
209.2218
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
98%
In Stock USA
United States
$119
- +
5g
98%
In Stock USA
United States
$413
- +
10g
98%
In Stock USA
United States
$650
- +
25g
98%
In Stock USA
United States
$1175
- +
Product Description
Catalog Number:
AG003RWE
Chemical Name:
Methyl 5-(2-thienyl)isoxazole-3-carboxylate
CAS Number:
517870-23-4
Molecular Formula:
C9H7NO3S
Molecular Weight:
209.2218
MDL Number:
MFCD03778976
IUPAC Name:
methyl 5-thiophen-2-yl-1,2-oxazole-3-carboxylate
InChI:
InChI=1S/C9H7NO3S/c1-12-9(11)6-5-7(13-10-6)8-3-2-4-14-8/h2-5H,1H3
InChI Key:
HNUBQXDECCWAJW-UHFFFAOYSA-N
SMILES:
COC(=O)c1noc(c1)c1cccs1
Properties
Complexity:
224  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
209.015g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
209.219g/mol
Monoisotopic Mass:
209.015g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
80.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9  
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