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1048371-03-4 | 5-(2-Oxo-2-phenylethoxy)-3,4-dihydroisoquinolin-1(2H)-one
CAS No: 1048371-03-4 Catalog No: AG008TKG MDL No:MFCD14051631
Product Description
Catalog Number:
AG008TKG
Chemical Name:
5-(2-Oxo-2-phenylethoxy)-3,4-dihydroisoquinolin-1(2H)-one
CAS Number:
1048371-03-4
Molecular Formula:
C17H13NO3
Molecular Weight:
279.2900
MDL Number:
MFCD14051631
IUPAC Name:
5-phenacyloxy-2H-isoquinolin-1-one
InChI:
InChI=1S/C17H13NO3/c19-15(12-5-2-1-3-6-12)11-21-16-8-4-7-14-13(16)9-10-18-17(14)20/h1-10H,11H2,(H,18,20)
InChI Key:
JJWMRRNGWSITSQ-UHFFFAOYSA-N
SMILES:
O=C(c1ccccc1)COc1cccc2c1cc[nH]c2=O
Properties
Complexity:
426
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
279.09g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
279.295g/mol
Monoisotopic Mass:
279.09g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
55.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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