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Ethyl 2-(3-formyl-4-hydroxyphenyl)-4-methylthiazole-5-carboxylate

CAS No.:
161798-01-2
Catalog Number:
AG001VVX
Molecular Formula:
C14H13NO4S
Molecular Weight:
291.3223
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
100mg
>98%(HPLC)powder
In Stock USA
United States
$158
- +
1g
>98%(HPLC)powder
In Stock USA
United States
$436
- +
Product Description
Catalog Number:
AG001VVX
Chemical Name:
Ethyl 2-(3-formyl-4-hydroxyphenyl)-4-methylthiazole-5-carboxylate
CAS Number:
161798-01-2
Molecular Formula:
C14H13NO4S
Molecular Weight:
291.3223
MDL Number:
MFCD13194810
IUPAC Name:
ethyl 2-(3-formyl-4-hydroxyphenyl)-4-methyl-1,3-thiazole-5-carboxylate
InChI:
InChI=1S/C14H13NO4S/c1-3-19-14(18)12-8(2)15-13(20-12)9-4-5-11(17)10(6-9)7-16/h4-7,17H,3H2,1-2H3
InChI Key:
NJRGQNNSIAFIJC-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1sc(nc1C)c1ccc(c(c1)C=O)O
EC Number:
692-179-2
Properties
Complexity:
365  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
291.057g/mol
Formal Charge:
0
Heavy Atom Count:
20  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
291.321g/mol
Monoisotopic Mass:
291.057g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
105A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2  
Properties