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89236-80-6 | 2(1H)-Isoquinolinecarboxaldehyde, 3,4-dihydro-1-(2-oxopropyl)-
CAS No: 89236-80-6 Catalog No: AG0043AP MDL No:
Product Description
Catalog Number:
AG0043AP
Chemical Name:
2(1H)-Isoquinolinecarboxaldehyde, 3,4-dihydro-1-(2-oxopropyl)-
CAS Number:
89236-80-6
Molecular Formula:
C13H15NO2
Molecular Weight:
217.2637
IUPAC Name:
1-(2-oxopropyl)-3,4-dihydro-1H-isoquinoline-2-carbaldehyde
InChI:
InChI=1S/C13H15NO2/c1-10(16)8-13-12-5-3-2-4-11(12)6-7-14(13)9-15/h2-5,9,13H,6-8H2,1H3
InChI Key:
ICALAVFACNADMH-UHFFFAOYSA-N
SMILES:
O=CN1CCc2c(C1CC(=O)C)cccc2
Properties
Complexity:
277
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
217.11g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
217.268g/mol
Monoisotopic Mass:
217.11g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
37.4A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1
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