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17507-05-0 | 3(2H)-Isoquinolinone, 1,4-dihydro-1-phenyl-
CAS No: 17507-05-0 Catalog No: AG002048 MDL No:MFCD00089450
Product Description
Catalog Number:
AG002048
Chemical Name:
3(2H)-Isoquinolinone, 1,4-dihydro-1-phenyl-
CAS Number:
17507-05-0
Molecular Formula:
C15H13NO
Molecular Weight:
223.2698
MDL Number:
MFCD00089450
IUPAC Name:
1-phenyl-2,4-dihydro-1H-isoquinolin-3-one
InChI:
InChI=1S/C15H13NO/c17-14-10-12-8-4-5-9-13(12)15(16-14)11-6-2-1-3-7-11/h1-9,15H,10H2,(H,16,17)
InChI Key:
IAOCKKZVKNCZPK-UHFFFAOYSA-N
SMILES:
O=C1Cc2ccccc2C(N1)c1ccccc1
Properties
Complexity:
283
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
223.1g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
223.275g/mol
Monoisotopic Mass:
223.1g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
29.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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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