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87087-20-5 | 7-Isoquinolinecarboxaldehyde
CAS No: 87087-20-5 Catalog No: AG004PNV MDL No:MFCD06227439
Product Description
Catalog Number:
AG004PNV
Chemical Name:
7-Isoquinolinecarboxaldehyde
CAS Number:
87087-20-5
Molecular Formula:
C10H7NO
Molecular Weight:
157.1687
MDL Number:
MFCD06227439
IUPAC Name:
isoquinoline-7-carbaldehyde
InChI:
InChI=1S/C10H7NO/c12-7-8-1-2-9-3-4-11-6-10(9)5-8/h1-7H
InChI Key:
QEAGQILEKLFCEK-UHFFFAOYSA-N
SMILES:
O=Cc1ccc2c(c1)cncc2
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:
1.7
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