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851169-22-7

851169-22-7 | 2-cyano-N-[4-(3,4-dihydroxyphenyl)-1,3-thiazol-2-yl]acetamide

CAS No: 851169-22-7 Catalog No: AG019ISN MDL No:MFCD06654974

Product Description

Catalog Number:
AG019ISN
Chemical Name:
2-cyano-N-[4-(3,4-dihydroxyphenyl)-1,3-thiazol-2-yl]acetamide
CAS Number:
851169-22-7
Molecular Formula:
C12H9N3O3S
Molecular Weight:
275.2832
MDL Number:
MFCD06654974
IUPAC Name:
2-cyano-N-[4-(3,4-dihydroxyphenyl)-1,3-thiazol-2-yl]acetamide
InChI:
InChI=1S/C12H9N3O3S/c13-4-3-11(18)15-12-14-8(6-19-12)7-1-2-9(16)10(17)5-7/h1-2,5-6,16-17H,3H2,(H,14,15,18)
InChI Key:
YKRGBAKFZFYMQF-UHFFFAOYSA-N
SMILES:
N#CCC(=O)Nc1scc(n1)c1ccc(c(c1)O)O

Properties

Complexity:
384  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
275.036g/mol
Formal Charge:
0
Heavy Atom Count:
19  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
275.282g/mol
Monoisotopic Mass:
275.036g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
135A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9  

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