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248246-47-1 | 2H-Pyrimido[4,5-a]carbazol-2-one, 1,11-dihydro-
CAS No: 248246-47-1 Catalog No: AG002PK0 MDL No:
Product Description
Catalog Number:
AG002PK0
Chemical Name:
2H-Pyrimido[4,5-a]carbazol-2-one, 1,11-dihydro-
CAS Number:
248246-47-1
Molecular Formula:
C14H9N3O
Molecular Weight:
235.2408
IUPAC Name:
1,3-dihydropyrimido[4,5-a]carbazol-2-one
InChI:
InChI=1S/C14H9N3O/c18-14-15-7-8-5-6-10-9-3-1-2-4-11(9)16-13(10)12(8)17-14/h1-7H,(H2,15,17,18)
InChI Key:
FDRDRYQPBCPZRX-UHFFFAOYSA-N
SMILES:
O=c1ncc2c([nH]1)c1[nH]c3c(c1cc2)cccc3
Properties
Complexity:
697
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
235.075g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
235.246g/mol
Monoisotopic Mass:
235.075g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
53.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.3
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