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Home > Quinoline > 161185-41-7
161185-41-7 | 3-acetyl-1-butyl-4-hydroxy-1,2-dihydroquinolin-2-one
CAS No: 161185-41-7 Catalog No: AG00IN94 MDL No:MFCD00101165
Product Description
Catalog Number:
AG00IN94
Chemical Name:
3-acetyl-1-butyl-4-hydroxy-1,2-dihydroquinolin-2-one
CAS Number:
161185-41-7
Molecular Formula:
C15H17NO3
Molecular Weight:
259.3004
MDL Number:
MFCD00101165
IUPAC Name:
3-acetyl-1-butyl-4-hydroxyquinolin-2-one
InChI:
InChI=1S/C15H17NO3/c1-3-4-9-16-12-8-6-5-7-11(12)14(18)13(10(2)17)15(16)19/h5-8,18H,3-4,9H2,1-2H3
InChI Key:
LRWTVVXLKGMEIC-UHFFFAOYSA-N
SMILES:
CCCCn1c2ccccc2c(c(c1=O)C(=O)C)O
Properties
Complexity:
414
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
259.121g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
259.305g/mol
Monoisotopic Mass:
259.121g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
57.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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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