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101999-45-5,MFCD06001840
Catalog No.:AA00064N
101999-45-5 | 2-(7-Hydroxy-2-oxo-2H-chromen-4-yl)acetamide
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Technical Information
Catalog Number:
AA00064N
Chemical Name:
2-(7-Hydroxy-2-oxo-2H-chromen-4-yl)acetamide
CAS Number:
101999-45-5
Molecular Formula:
C11H9NO4
Molecular Weight:
219.1935
MDL Number:
MFCD06001840
IUPAC Name:
2-(7-hydroxy-2-oxochromen-4-yl)acetamide
InChI:
InChI=1S/C11H9NO4/c12-10(14)3-6-4-11(15)16-9-5-7(13)1-2-8(6)9/h1-2,4-5,13H,3H2,(H2,12,14)
InChI Key:
YXBOCMCJTKIUAP-UHFFFAOYSA-N
SMILES:
NC(=O)Cc1cc(=O)oc2c1ccc(c2)O
Properties
Computed Properties
 
Complexity:
350  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
219.053g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
219.196g/mol
Monoisotopic Mass:
219.053g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
89.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.3  

Synonyms
 
2-(7-hydroxy-2-oxo-2H-chromen-4-yl)acetamide 
101999-45-5 
HMS1594D16 
ZINC1237945 
ZX-CM017541 
BDBM50022177 
MFCD06001840 
STK829483 
AKOS004936952 
MCULE-1610832390 
AJ-25182 
2-(7-hydroxy-2-oxochromen-4-yl)acetamide 
CHEMBL12241 
Y-2016 
2-(7-Hydroxy-2-oxo-2H-chromen-4-yl)-acetamide 
SR-01000288598 
SR-01000288598-1 
4-[(aminocarbonyl)methyl]-7-hydroxy-2H-chromen-2-one 
2-(7-Hydroxy-2-oxo-2H-chromen-4-yl)acetamide AldrichCPR 
2-(7-Hydroxy-2-oxo-2H-chromen-4-yl)acetamide, AldrichCPR 
ZINC01237945 
CID5513700 
2H-1-Benzopyran-4-acetamide, 7-hydroxy-2-oxo- 
AC1NUV4Z 
SCHEMBL723839 
CTK4A0539 
DTXSID80420601 
YXBOCMCJTKIUAP-UHFFFAOYSA-N 
CHEMBRDG-BB 7932577 
Literature

Title: Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis.

Journal: Bioorganic & medicinal chemistry letters 20101101

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