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825649-25-0 | 9H-Xanthene-3-carboxamide, N-ethyl-9-oxo-
CAS No: 825649-25-0 Catalog No: AG0052Z1 MDL No:
Product Description
Catalog Number:
AG0052Z1
Chemical Name:
9H-Xanthene-3-carboxamide, N-ethyl-9-oxo-
CAS Number:
825649-25-0
Molecular Formula:
C16H13NO3
Molecular Weight:
267.2793
IUPAC Name:
N-ethyl-9-oxoxanthene-3-carboxamide
InChI:
InChI=1S/C16H13NO3/c1-2-17-16(19)10-7-8-12-14(9-10)20-13-6-4-3-5-11(13)15(12)18/h3-9H,2H2,1H3,(H,17,19)
InChI Key:
ZNRDYZVUCYUUST-UHFFFAOYSA-N
SMILES:
CCNC(=O)c1ccc2c(c1)oc1c(c2=O)cccc1
Properties
Complexity:
395
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
267.09g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
267.284g/mol
Monoisotopic Mass:
267.09g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
55.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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