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90806-58-9 | 5-methoxyisoquinoline
CAS No: 90806-58-9 Catalog No: AG006ADJ MDL No:MFCD11846297
Product Description
Catalog Number:
AG006ADJ
Chemical Name:
5-methoxyisoquinoline
CAS Number:
90806-58-9
Molecular Formula:
C10H9NO
Molecular Weight:
159.1846
MDL Number:
MFCD11846297
IUPAC Name:
5-methoxyisoquinoline
InChI:
InChI=1S/C10H9NO/c1-12-10-4-2-3-8-7-11-6-5-9(8)10/h2-7H,1H3
InChI Key:
NRQNEMBSIAIKFB-UHFFFAOYSA-N
SMILES:
COc1cccc2c1ccnc2
Properties
Complexity:
149
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
159.068g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
159.188g/mol
Monoisotopic Mass:
159.068g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
22.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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