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1368661-06-6

1368661-06-6 | 1(2H)-Isoquinolinone, 3,4-dihydro-7-phenyl-

CAS No: 1368661-06-6 Catalog No: AG0012HZ MDL No:MFCD20154498

Product Description

Catalog Number:
AG0012HZ
Chemical Name:
1(2H)-Isoquinolinone, 3,4-dihydro-7-phenyl-
CAS Number:
1368661-06-6
Molecular Formula:
C15H13NO
Molecular Weight:
223.2698
MDL Number:
MFCD20154498
IUPAC Name:
7-phenyl-3,4-dihydro-2H-isoquinolin-1-one
InChI:
InChI=1S/C15H13NO/c17-15-14-10-13(11-4-2-1-3-5-11)7-6-12(14)8-9-16-15/h1-7,10H,8-9H2,(H,16,17)
InChI Key:
YONOZPRRPDZFDW-UHFFFAOYSA-N
SMILES:
O=C1NCCc2c1cc(cc2)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:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9  

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