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39989-39-4 | 7-Methoxyisoquinoline
CAS No: 39989-39-4 Catalog No: AG0076E4 MDL No:MFCD09030747
Product Description
Catalog Number:
AG0076E4
Chemical Name:
7-Methoxyisoquinoline
CAS Number:
39989-39-4
Molecular Formula:
C10H9NO
Molecular Weight:
159.1846
MDL Number:
MFCD09030747
IUPAC Name:
7-methoxyisoquinoline
InChI:
InChI=1S/C10H9NO/c1-12-10-3-2-8-4-5-11-7-9(8)6-10/h2-7H,1H3
InChI Key:
PNNUXNXZDJVGSB-UHFFFAOYSA-N
SMILES:
COc1ccc2c(c1)cncc2
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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