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1105194-17-9 | 5-HYDROXY-2-(4-METHYLBENZYL)-3,4-DIHYDROISOQUINOLIN-1(2H)-ONE
CAS No: 1105194-17-9 Catalog No: AG01AQDH MDL No:MFCD16652879
Product Description
Catalog Number:
AG01AQDH
Chemical Name:
5-HYDROXY-2-(4-METHYLBENZYL)-3,4-DIHYDROISOQUINOLIN-1(2H)-ONE
CAS Number:
1105194-17-9
MDL Number:
MFCD16652879
IUPAC Name:
5-hydroxy-2-[(4-methylphenyl)methyl]-3,4-dihydroisoquinolin-1-one
InChI:
InChI=1S/C17H17NO2/c1-12-5-7-13(8-6-12)11-18-10-9-14-15(17(18)20)3-2-4-16(14)19/h2-8,19H,9-11H2,1H3
InChI Key:
ANJBVSIPUXEOCJ-UHFFFAOYSA-N
Properties
Complexity:
349
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
267.126g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
267.328g/mol
Monoisotopic Mass:
267.126g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
40.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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