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69504-69-4 | Isoquinoline, 6,7-dimethoxy-3-(4-pyridinyl)-
CAS No: 69504-69-4 Catalog No: AG006C48 MDL No:
Product Description
Catalog Number:
AG006C48
Chemical Name:
Isoquinoline, 6,7-dimethoxy-3-(4-pyridinyl)-
CAS Number:
69504-69-4
Molecular Formula:
C16H14N2O2
Molecular Weight:
266.2946
IUPAC Name:
6,7-dimethoxy-3-pyridin-4-ylisoquinoline
InChI:
InChI=1S/C16H14N2O2/c1-19-15-8-12-7-14(11-3-5-17-6-4-11)18-10-13(12)9-16(15)20-2/h3-10H,1-2H3
InChI Key:
LJAFANYWSUQQPX-UHFFFAOYSA-N
SMILES:
COc1cc2cc(ncc2cc1OC)c1ccncc1
NSC Number:
297374
Properties
Complexity:
307
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
266.106g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
266.3g/mol
Monoisotopic Mass:
266.106g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
44.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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