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427375-46-0 | 6-Quinolinecarboxaldehyde, 5-amino-
CAS No: 427375-46-0 Catalog No: AG0071OK MDL No:
Product Description
Catalog Number:
AG0071OK
Chemical Name:
6-Quinolinecarboxaldehyde, 5-amino-
CAS Number:
427375-46-0
Molecular Formula:
C10H8N2O
Molecular Weight:
172.1833
IUPAC Name:
5-aminoquinoline-6-carbaldehyde
InChI:
InChI=1S/C10H8N2O/c11-10-7(6-13)3-4-9-8(10)2-1-5-12-9/h1-6H,11H2
InChI Key:
YLWGDKIEBOANDX-UHFFFAOYSA-N
SMILES:
O=Cc1ccc2c(c1N)cccn2
Properties
Complexity:
195
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
172.064g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
172.187g/mol
Monoisotopic Mass:
172.064g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
56A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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