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1105194-12-4

1105194-12-4 | 5-HYDROXY-2-(4-METHOXYBENZYL)-3,4-DIHYDROISOQUINOLIN-1(2H)-ONE

CAS No: 1105194-12-4 Catalog No: AG01AQDG MDL No:MFCD16652878

Product Description

Catalog Number:
AG01AQDG
Chemical Name:
5-HYDROXY-2-(4-METHOXYBENZYL)-3,4-DIHYDROISOQUINOLIN-1(2H)-ONE
CAS Number:
1105194-12-4
MDL Number:
MFCD16652878
IUPAC Name:
5-hydroxy-2-[(4-methoxyphenyl)methyl]-3,4-dihydroisoquinolin-1-one
InChI:
InChI=1S/C17H17NO3/c1-21-13-7-5-12(6-8-13)11-18-10-9-14-15(17(18)20)3-2-4-16(14)19/h2-8,19H,9-11H2,1H3
InChI Key:
YVLWXBOYIWNIKQ-UHFFFAOYSA-N

Properties

Complexity:
365  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
283.121g/mol
Formal Charge:
0
Heavy Atom Count:
21  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
283.327g/mol
Monoisotopic Mass:
283.121g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
49.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5  

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