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Home > Indoles and Oxindole > 98805-78-8
98805-78-8 | 8-Methoxypyrimidino[5,4-b]indol-4(3H)-one
CAS No: 98805-78-8 Catalog No: AG00JLL4 MDL No:
Product Description
Catalog Number:
AG00JLL4
Chemical Name:
8-Methoxypyrimidino[5,4-b]indol-4(3H)-one
CAS Number:
98805-78-8
Molecular Formula:
C11H9N3O2
Molecular Weight:
215.2081
IUPAC Name:
8-methoxy-3,5-dihydropyrimido[5,4-b]indol-4-one
InChI:
InChI=1S/C11H9N3O2/c1-16-6-2-3-8-7(4-6)9-10(14-8)11(15)13-5-12-9/h2-5,14H,1H3,(H,12,13,15)
InChI Key:
YYCAQAOZVMBSNP-UHFFFAOYSA-N
SMILES:
COc1ccc2c(c1)c1nc[nH]c(=O)c1[nH]2
Properties
Complexity:
331
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
215.069g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
215.212g/mol
Monoisotopic Mass:
215.069g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
66.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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