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54289-76-8 | 3-acetyl-4-hydroxy-1-methyl-1,2-dihydroquinolin-2-one
CAS No: 54289-76-8 Catalog No: AG00INC4 MDL No:MFCD00220073
Product Description
Catalog Number:
AG00INC4
Chemical Name:
3-acetyl-4-hydroxy-1-methyl-1,2-dihydroquinolin-2-one
CAS Number:
54289-76-8
Molecular Formula:
C12H11NO3
Molecular Weight:
217.2206
MDL Number:
MFCD00220073
IUPAC Name:
3-acetyl-4-hydroxy-1-methylquinolin-2-one
InChI:
InChI=1S/C12H11NO3/c1-7(14)10-11(15)8-5-3-4-6-9(8)13(2)12(10)16/h3-6,15H,1-2H3
InChI Key:
NGXLZSYWEVIMPO-UHFFFAOYSA-N
SMILES:
CC(=O)c1c(O)c2ccccc2n(c1=O)C
Properties
Complexity:
373
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
217.074g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
217.224g/mol
Monoisotopic Mass:
217.074g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
57.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
Literature
| Title | Journal |
|---|---|
| Microsphere-based protease assays and screening application for lethal factor and factor Xa. | Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501 |
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