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26278-74-0 | 1(2H)-Isoquinolinone, 3,4-dihydro-3-phenyl-
CAS No: 26278-74-0 Catalog No: AG002SKO MDL No:
Product Description
Catalog Number:
AG002SKO
Chemical Name:
1(2H)-Isoquinolinone, 3,4-dihydro-3-phenyl-
CAS Number:
26278-74-0
Molecular Formula:
C15H13NO
Molecular Weight:
223.2698
IUPAC Name:
3-phenyl-3,4-dihydro-2H-isoquinolin-1-one
InChI:
InChI=1S/C15H13NO/c17-15-13-9-5-4-8-12(13)10-14(16-15)11-6-2-1-3-7-11/h1-9,14H,10H2,(H,16,17)
InChI Key:
VMTGXGJJANYCDX-UHFFFAOYSA-N
SMILES:
O=C1NC(Cc2c1cccc2)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:
2.8
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