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89216-22-8 | 2(1H)-Isoquinolinecarboxaldehyde, 3,4-dihydro-1-(2-oxo-2-phenylethyl)-
CAS No: 89216-22-8 Catalog No: AG0044S7 MDL No:
Product Description
Catalog Number:
AG0044S7
Chemical Name:
2(1H)-Isoquinolinecarboxaldehyde, 3,4-dihydro-1-(2-oxo-2-phenylethyl)-
CAS Number:
89216-22-8
Molecular Formula:
C18H17NO2
Molecular Weight:
279.3331
IUPAC Name:
1-phenacyl-3,4-dihydro-1H-isoquinoline-2-carbaldehyde
InChI:
InChI=1S/C18H17NO2/c20-13-19-11-10-14-6-4-5-9-16(14)17(19)12-18(21)15-7-2-1-3-8-15/h1-9,13,17H,10-12H2
InChI Key:
IINPZZUMNMTYBR-UHFFFAOYSA-N
SMILES:
O=CN1CCc2c(C1CC(=O)c1ccccc1)cccc2
Properties
Complexity:
375
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
279.126g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
279.339g/mol
Monoisotopic Mass:
279.126g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
37.4A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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