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Home > Aldehydes > 919485-89-5
919485-89-5 | 5-Pyrimidinecarboxaldehyde, 4-amino-6-(1H-indol-5-yloxy)-
CAS No: 919485-89-5 Catalog No: AG006IKL MDL No:
Product Description
Catalog Number:
AG006IKL
Chemical Name:
5-Pyrimidinecarboxaldehyde, 4-amino-6-(1H-indol-5-yloxy)-
CAS Number:
919485-89-5
Molecular Formula:
C13H10N4O2
Molecular Weight:
254.2441
IUPAC Name:
4-amino-6-(1H-indol-5-yloxy)pyrimidine-5-carbaldehyde
InChI:
InChI=1S/C13H10N4O2/c14-12-10(6-18)13(17-7-16-12)19-9-1-2-11-8(5-9)3-4-15-11/h1-7,15H,(H2,14,16,17)
InChI Key:
ODITUHSKCJEGBP-UHFFFAOYSA-N
SMILES:
O=Cc1c(ncnc1N)Oc1ccc2c(c1)cc[nH]2
Properties
Complexity:
328
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
254.08g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
254.249g/mol
Monoisotopic Mass:
254.08g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
93.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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