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820237-31-8 | 5-Isoquinolinecarboxaldehyde, 8-propoxy-
CAS No: 820237-31-8 Catalog No: AG008KCW MDL No:
Product Description
Catalog Number:
AG008KCW
Chemical Name:
5-Isoquinolinecarboxaldehyde, 8-propoxy-
CAS Number:
820237-31-8
Molecular Formula:
C13H13NO2
Molecular Weight:
215.2478
IUPAC Name:
8-propoxyisoquinoline-5-carbaldehyde
InChI:
InChI=1S/C13H13NO2/c1-2-7-16-13-4-3-10(9-15)11-5-6-14-8-12(11)13/h3-6,8-9H,2,7H2,1H3
InChI Key:
MLSAOWDKWXGUTF-UHFFFAOYSA-N
SMILES:
CCCOc1ccc(c2c1cncc2)C=O
Properties
Complexity:
232
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
215.095g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
215.252g/mol
Monoisotopic Mass:
215.095g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
39.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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