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1105196-17-5 | 5-HYDROXY-2-(3-METHYLBENZYL)-3,4-DIHYDROISOQUINOLIN-1(2H)-ONE
CAS No: 1105196-17-5 Catalog No: AG01ARTK MDL No:MFCD11986533
Product Description
Catalog Number:
AG01ARTK
Chemical Name:
5-HYDROXY-2-(3-METHYLBENZYL)-3,4-DIHYDROISOQUINOLIN-1(2H)-ONE
CAS Number:
1105196-17-5
Molecular Formula:
C17H17NO2
Molecular Weight:
267.3224
MDL Number:
MFCD11986533
IUPAC Name:
5-hydroxy-2-[(3-methylphenyl)methyl]-3,4-dihydroisoquinolin-1-one
InChI:
InChI=1S/C17H17NO2/c1-12-4-2-5-13(10-12)11-18-9-8-14-15(17(18)20)6-3-7-16(14)19/h2-7,10,19H,8-9,11H2,1H3
InChI Key:
HKXDQOGGSTUMEF-UHFFFAOYSA-N
SMILES:
Cc1cccc(c1)CN1CCc2c(C1=O)cccc2O
Properties
Complexity:
357
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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