4-Isoquinolinecarboxaldehyde


Chemical Name: 4-Isoquinolinecarboxaldehyde
CAS Number: 22960-16-3
Product Number: AG002LP0(AGN-PC-0NBXWZ)
Synonyms:
MDL No: MFCD00829440
Molecular Formula: C10H7NO
Molecular Weight: 157.1687

Identification/Properties


Properties
MP:
101-106℃
BP:
331.7°C at 760 mmHg
Storage:
Keep in dry area;Room Temperature;
Form:
Solid
Computed Properties
Molecular Weight:
157.172g/mol
XLogP3:
1.6
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
2
Rotatable Bond Count:
1
Exact Mass:
157.053g/mol
Monoisotopic Mass:
157.053g/mol
Topological Polar Surface Area:
30A^2
Heavy Atom Count:
12
Formal Charge:
0
Complexity:
169
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

Safety Information


GHS Pictogram:
Signal Word:
Warning
UN#:
N/A
Hazard Statements:
H302-H319
Precautionary Statements:
P305+P351+P338
Class:
N/A
Packing Group:
N/A

NMR Spectrum


Other Analytical Data


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