3-Acetamidocoumarin

HCID 136620CAS 779-30-6

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Basic information

Standard SMILES
CC(=O)Nc1cc2ccccc2oc1=O
InChIKey
XJYLCCJIDYSFMB-UHFFFAOYSA-N
Molecular formula
C11H9NO3
Average molar mass
203.197 g/mol
Monoisotopic mass
203.05824315

Names & identifiers

Preferred name
3-Acetamidocoumarin
IUPAC
N-(2-Oxo-2H-1-benzopyran-3-yl)acetamide
English name
3-ACETAMIDOCOUMARIN
Molecular formula
C11H9NO3
Molecular weight
203.19

Names & synonyms

NSC 658733-ACETAMIDOCOUMARINACETAMIDOCOUMARIN, 3-PALMATINE CHLORIDE(P)3- Acelamido coumarin3-(AcetylaMino)couMarin3-ACETAMIDOCOUMARIN 99%N-(2-oxochromen-3-yl)acetamideJR-8236, 3-Acetamidocoumarin, 97%N-(2-Oxo-2H-chromen-3-yl)acetamide

Database identifiers

CAS
779-30-6
PubChem CID
136620
DTXSID
DTXSID80228528
ChEMBL
CHEMBL63349
ChEBI
CHEBI:95324
Nikkaji
J1.862.891K

Properties

Physicochemical properties

Melting point
205 · 205-207 °C(lit.)
Boiling point
482 · 482.0±45.0 °C(Predicted)
Density
1.31 · 1.31±0.1 g/cm3(Predicted)
storage temp.
-20 °C · Store at -20°C
form
powder to crystal
pka
12.73 · 12.73±0.20(Predicted)

Safety & regulation

Safety data

wgk
3
hs_code
2932209090
Signal word
Warning
Symbol(GHS)
GHS07
Hazard statements
H302-H315-H319-H335
Precautionary statements
P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501

Chemistry & industry

Applications

Uses3-ACETAMIDOCOUMARIN is a 3-substituted couramin derivative with antioxidant activity. It is used as a matrix in MALDI TOF-MS analysis of polyethylene glycol samples.

Upstream & downstream products

Suppliers50 total

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
南京世洲生物科技有限公司025-85560043 15850508050 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
普善实业（陕西）有限公司029-81310890 18165209495 · [email protected]

Additional notes

DefinitionChEBI: N-(2-oxo-1-benzopyran-3-yl)acetamide is a member of coumarins.

Related reactions

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