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2059994-58-8 | 5-methoxy-8-methylisoquinoline
CAS No: 2059994-58-8 Catalog No: AG01BX56 MDL No:MFCD30477780
Product Description
Catalog Number:
AG01BX56
Chemical Name:
5-methoxy-8-methylisoquinoline
CAS Number:
2059994-58-8
Molecular Formula:
C11H11NO
Molecular Weight:
173.2111
MDL Number:
MFCD30477780
IUPAC Name:
5-methoxy-8-methylisoquinoline
InChI:
InChI=1S/C11H11NO/c1-8-3-4-11(13-2)9-5-6-12-7-10(8)9/h3-7H,1-2H3
InChI Key:
LVUGAFMICJRREV-UHFFFAOYSA-N
SMILES:
COc1ccc(c2c1ccnc2)C
Properties
Complexity:
172
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
173.084g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
173.215g/mol
Monoisotopic Mass:
173.084g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
22.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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