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Home > Other Heterocycles > 825650-37-1
825650-37-1 | 9H-Xanthene-3-carboxamide, 9-(8-azabicyclo[3.2.1]oct-3-ylidene)-
CAS No: 825650-37-1 Catalog No: AG0052YW MDL No:
Product Description
Catalog Number:
AG0052YW
Chemical Name:
9H-Xanthene-3-carboxamide, 9-(8-azabicyclo[3.2.1]oct-3-ylidene)-
CAS Number:
825650-37-1
Molecular Formula:
C21H20N2O2
Molecular Weight:
332.3957
IUPAC Name:
9-(8-azabicyclo[3.2.1]octan-3-ylidene)xanthene-3-carboxamide
InChI:
InChI=1S/C21H20N2O2/c22-21(24)12-5-8-17-19(11-12)25-18-4-2-1-3-16(18)20(17)13-9-14-6-7-15(10-13)23-14/h1-5,8,11,14-15,23H,6-7,9-10H2,(H2,22,24)
InChI Key:
TUQBLYYRVCIPIY-UHFFFAOYSA-N
SMILES:
NC(=O)c1ccc2c(c1)Oc1c(C2=C2CC3CCC(C2)N3)cccc1
Properties
Complexity:
572
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
332.152g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
332.403g/mol
Monoisotopic Mass:
332.152g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
64.4A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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