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Ethyl 3-methylbenzofuran-2-carboxylate

CAS No.:
22367-82-4
Catalog Number:
AG00BBU1
Molecular Formula:
C12H12O3
Molecular Weight:
204.2219
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
5g
95%
In Stock USA
United States
$415
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Product Description
Catalog Number:
AG00BBU1
Chemical Name:
Ethyl 3-methylbenzofuran-2-carboxylate
CAS Number:
22367-82-4
Molecular Formula:
C12H12O3
Molecular Weight:
204.2219
MDL Number:
MFCD00846334
IUPAC Name:
ethyl 3-methyl-1-benzofuran-2-carboxylate
InChI:
InChI=1S/C12H12O3/c1-3-14-12(13)11-8(2)9-6-4-5-7-10(9)15-11/h4-7H,3H2,1-2H3
InChI Key:
FBWZJJPGVQYUIN-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1oc2c(c1C)cccc2
Properties
Complexity:
239  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
204.079g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
204.225g/mol
Monoisotopic Mass:
204.079g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
39.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2  
Literature
Title Journal
3-Methyl-1-benzofuran-2-carbohydrazide. Acta crystallographica. Section E, Structure reports online 20120401
Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. Bioorganic & medicinal chemistry letters 20101101
Properties