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Home > Aldehydes > 146530-25-8
146530-25-8 | 2(1H)-Isoquinolinecarboxaldehyde, 3,4-dihydro-3-phenyl-
CAS No: 146530-25-8 Catalog No: AG001E3D MDL No:
Product Description
Catalog Number:
AG001E3D
Chemical Name:
2(1H)-Isoquinolinecarboxaldehyde, 3,4-dihydro-3-phenyl-
CAS Number:
146530-25-8
Molecular Formula:
C16H15NO
Molecular Weight:
237.2964
IUPAC Name:
3-phenyl-3,4-dihydro-1H-isoquinoline-2-carbaldehyde
InChI:
InChI=1S/C16H15NO/c18-12-17-11-15-9-5-4-8-14(15)10-16(17)13-6-2-1-3-7-13/h1-9,12,16H,10-11H2
InChI Key:
LAPSQHDZLOJCSK-UHFFFAOYSA-N
SMILES:
O=CN1Cc2ccccc2CC1c1ccccc1
Properties
Complexity:
285
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
237.115g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
237.302g/mol
Monoisotopic Mass:
237.115g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
20.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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