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Home > Aldehydes > 787615-01-4
787615-01-4 | 8-Isoquinolinecarboxaldehyde
CAS No: 787615-01-4 Catalog No: AG008NU8 MDL No:MFCD06227440
Product Description
Catalog Number:
AG008NU8
Chemical Name:
8-Isoquinolinecarboxaldehyde
CAS Number:
787615-01-4
Molecular Formula:
C10H7NO
Molecular Weight:
157.1687
MDL Number:
MFCD06227440
IUPAC Name:
isoquinoline-8-carbaldehyde
InChI:
InChI=1S/C10H7NO/c12-7-9-3-1-2-8-4-5-11-6-10(8)9/h1-7H
InChI Key:
KPYBESJNSLIHRF-UHFFFAOYSA-N
SMILES:
O=Cc1cccc2c1cncc2
Properties
Complexity:
169
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
157.053g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
157.172g/mol
Monoisotopic Mass:
157.053g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
30A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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