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779-30-6,MFCD00075556
Catalog No.:AA003IPX
779-30-6 | 3-Acetamidocoumarin
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200mg
>98.0%(GC)
1 week  
$96.00   $67.00
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1g
>98.0%(GC)
1 week  
$283.00   $198.00
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Technical Information
Catalog Number:
AA003IPX
Chemical Name:
3-Acetamidocoumarin
CAS Number:
779-30-6
Molecular Formula:
C11H9NO3
Molecular Weight:
203.1941
MDL Number:
MFCD00075556
IUPAC Name:
N-(2-oxochromen-3-yl)acetamide
InChI:
InChI=1S/C11H9NO3/c1-7(13)12-9-6-8-4-2-3-5-10(8)15-11(9)14/h2-6H,1H3,(H,12,13)
InChI Key:
XJYLCCJIDYSFMB-UHFFFAOYSA-N
SMILES:
CC(=O)Nc1cc2ccccc2oc1=O
NSC Number:
65873
Properties
Computed Properties
 
Complexity:
322  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
203.058g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
203.197g/mol
Monoisotopic Mass:
203.058g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
55.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3  

Synonyms
 
3-Acetamidocoumarin 
779-30-6 
NSC65873 
PubChem8662 
Maybridge1_000258 
Prestwick0_000969 
Prestwick1_000969 
Prestwick2_000969 
Prestwick3_000969 
ChemDiv2_000143 
AC1Q1L2N 
Oprea1_480692 
N-(2-Oxo-2H-chromen-3-yl)acetamide 
BSPBio_000977 
CBDivE_000070 
MLS000719859 
CHEMBL63349 
SCHEMBL893303 
SPBio_002898 
AC1L38X7 
BPBio1_001075 
CHEBI:95324 
CTK5E5200 
3-acetamido-coumarin 
HMS542D16 
ZINC67488 
DTXSID80228528 
XJYLCCJIDYSFMB-UHFFFAOYSA-N 
HMS1369G11 
HMS1571A19 
HMS2098A19 
HMS2616G21 
BCP20917 
BTB 01088 
3-Acetylaminocoumarin 
CCG-15095 
MFCD00075556 
NSC 65873 
NSC-65873 
AKOS005202961 
MCULE-8239666346 
TRA0010184 
VZ26206 
N-(2-oxo-1-benzopyran-3-yl)acetamide 
NCGC00016539-01 
3-(Acetylamino)coumarin 
NCGC00016539-02 
NCGC00179352-01 
CAS-779-30-6 
CC-13900 
N-(2-Oxo-2H-chromen-3-yl)acetamide # 
OR345139 
SMR000304388 
ZB002570 
N-(2-oxidanylidenechromen-3-yl)ethanamide 
DB-022150 
N-(2-oxochromen-3-yl)acetamide 
N-(2-Oxo-2H-1-benzopyran-3-yl)acetamide 
A2972 
AB00513981 
FT-0614856 
ST50319576 
Acetamide,N-(2-oxo-2H-1-benzopyran-3-yl)- 
A839295 
C-09857 
SR-01000389251-1 
SR-01000389251-2 
N1-(2-oxo-2H-chromen-3-yl)acetamide 
SR-01000389251-4 
BRD-K85104575-001-03-2 
BRD-K85104575-001-07-3 
InChI=1/C11H9NO3/c1-7(13)12-9-6-8-4-2-3-5-10(8)15-11(9)14/h2-6H,1H3,(H,12,13 
CID136620 
ACN-055679 
A1-01398 
SR-01000389251 
Literature

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

Journal: Bioorganic & medicinal chemistry letters 20101101

Title: Microsphere-based protease assays and screening application for lethal factor and factor Xa.

Journal: Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501

Title: Efficient synthesis of tyrosine-derived marine sponge metabolites via acylation of amines with a coumarin.

Journal: The Journal of organic chemistry 20050805

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