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1309955-14-3 | 1(2H)-Isoquinolinone, 3,4-dihydro-6-phenyl-
CAS No: 1309955-14-3 Catalog No: AG000V87 MDL No:
Product Description
Catalog Number:
AG000V87
Chemical Name:
1(2H)-Isoquinolinone, 3,4-dihydro-6-phenyl-
CAS Number:
1309955-14-3
Molecular Formula:
C15H13NO
Molecular Weight:
223.2698
IUPAC Name:
6-phenyl-3,4-dihydro-2H-isoquinolin-1-one
InChI:
InChI=1S/C15H13NO/c17-15-14-7-6-12(10-13(14)8-9-16-15)11-4-2-1-3-5-11/h1-7,10H,8-9H2,(H,16,17)
InChI Key:
JIFHLFJWIUUCJC-UHFFFAOYSA-N
SMILES:
O=C1NCCc2c1ccc(c2)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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