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52986-70-6 | 6-Methoxyisoquinoline
CAS No: 52986-70-6 Catalog No: AG0034DC MDL No:MFCD04114861
Product Description
Catalog Number:
AG0034DC
Chemical Name:
6-Methoxyisoquinoline
CAS Number:
52986-70-6
Molecular Formula:
C10H9NO
Molecular Weight:
159.1846
MDL Number:
MFCD04114861
IUPAC Name:
6-methoxyisoquinoline
InChI:
InChI=1S/C10H9NO/c1-12-10-3-2-9-7-11-5-4-8(9)6-10/h2-7H,1H3
InChI Key:
XZNUJESLPUNSNO-UHFFFAOYSA-N
SMILES:
COc1ccc2c(c1)ccnc2
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:
2.2
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