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Home > Aldehydes > 118361-89-0
118361-89-0 | 1-Isoquinolinecarboxaldehyde, 5,8-dimethoxy-
CAS No: 118361-89-0 Catalog No: AG0076T6 MDL No:
Product Description
Catalog Number:
AG0076T6
Chemical Name:
1-Isoquinolinecarboxaldehyde, 5,8-dimethoxy-
CAS Number:
118361-89-0
Molecular Formula:
C12H11NO3
Molecular Weight:
217.2206
IUPAC Name:
5,8-dimethoxyisoquinoline-1-carbaldehyde
InChI:
InChI=1S/C12H11NO3/c1-15-10-3-4-11(16-2)12-8(10)5-6-13-9(12)7-14/h3-7H,1-2H3
InChI Key:
GVOXDXIMNCSPDH-UHFFFAOYSA-N
SMILES:
COc1ccc(c2c1ccnc2C=O)OC
Properties
Complexity:
246
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
217.074g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
217.224g/mol
Monoisotopic Mass:
217.074g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
48.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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