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30081-63-1

30081-63-1 | Benz[f]isoquinolin-4(3H)-one

CAS No: 30081-63-1 Catalog No: AG00383E MDL No:

Product Description

Catalog Number:
AG00383E
Chemical Name:
Benz[f]isoquinolin-4(3H)-one
CAS Number:
30081-63-1
Molecular Formula:
C13H9NO
Molecular Weight:
195.2167
IUPAC Name:
3H-benzo[f]isoquinolin-4-one
InChI:
InChI=1S/C13H9NO/c15-13-12-6-5-9-3-1-2-4-10(9)11(12)7-8-14-13/h1-8H,(H,14,15)
InChI Key:
WMSJINODUNXFFQ-UHFFFAOYSA-N
SMILES:
O=c1[nH]ccc2c1ccc1c2cccc1

Properties

Complexity:
297  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
195.068g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
195.221g/mol
Monoisotopic Mass:
195.068g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
29.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6  

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