9H-Pyrido[3,4-b]indole-1-carboxaldehyde


Chemical Name: 9H-Pyrido[3,4-b]indole-1-carboxaldehyde
CAS Number: 20127-63-3
Product Number: AG002DBF(AGN-PC-0LPYWR)
Synonyms:
MDL No:
Molecular Formula: C12H8N2O
Molecular Weight: 196.2047

Identification/Properties


Properties
BP:
440.8°C at 760 mmHg
Storage:
Inert atmosphere;2-8℃;
Form:
Solid
Computed Properties
Molecular Weight:
196.209g/mol
XLogP3:
2.1
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
2
Rotatable Bond Count:
1
Exact Mass:
196.064g/mol
Monoisotopic Mass:
196.064g/mol
Topological Polar Surface Area:
45.8A^2
Heavy Atom Count:
15
Formal Charge:
0
Complexity:
256
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#:
-
Hazard Statements:
H302
Precautionary Statements:
P280-P305+P351+P338
Class:
-
Packing Group:
-

NMR Spectrum


Other Analytical Data


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