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16535-89-0 | 3(2H)-Isoquinolinone, 1-methyl-
CAS No: 16535-89-0 Catalog No: AG001W3Q MDL No:MFCD11053887
Product Description
Catalog Number:
AG001W3Q
Chemical Name:
3(2H)-Isoquinolinone, 1-methyl-
CAS Number:
16535-89-0
Molecular Formula:
C10H9NO
Molecular Weight:
159.1846
MDL Number:
MFCD11053887
IUPAC Name:
1-methyl-2H-isoquinolin-3-one
InChI:
InChI=1S/C10H9NO/c1-7-9-5-3-2-4-8(9)6-10(12)11-7/h2-6H,1H3,(H,11,12)
InChI Key:
WZERFHYFSWMIRV-UHFFFAOYSA-N
SMILES:
O=c1cc2ccccc2c([nH]1)C
Properties
Complexity:
356
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
159.068g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
159.188g/mol
Monoisotopic Mass:
159.068g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
29.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1
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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