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Home > Aldehydes > 823236-18-6
823236-18-6 | 7-Isoquinolinecarboxaldehyde, 3,4-dihydro-1-phenyl-
CAS No: 823236-18-6 Catalog No: AG00543C MDL No:
Product Description
Catalog Number:
AG00543C
Chemical Name:
7-Isoquinolinecarboxaldehyde, 3,4-dihydro-1-phenyl-
CAS Number:
823236-18-6
Molecular Formula:
C16H13NO
Molecular Weight:
235.2805
IUPAC Name:
1-phenyl-3,4-dihydroisoquinoline-7-carbaldehyde
InChI:
InChI=1S/C16H13NO/c18-11-12-6-7-13-8-9-17-16(15(13)10-12)14-4-2-1-3-5-14/h1-7,10-11H,8-9H2
InChI Key:
WMNUQIOKOMYZMS-UHFFFAOYSA-N
SMILES:
O=Cc1ccc2c(c1)C(=NCC2)c1ccccc1
Properties
Complexity:
330
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
235.1g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
235.286g/mol
Monoisotopic Mass:
235.1g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
29.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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