1,11-Dihydro-2H-pyrimido[4,5-a]carbazol-2-one - CAS 248246-47-1
Catalog: |
BB044485 |
Product Name: |
1,11-Dihydro-2H-pyrimido[4,5-a]carbazol-2-one |
CAS: |
248246-47-1 |
Synonyms: |
1H-Pyrimido[4,5-a]carbazol-2(11H)-one; 11H-Pyrimido[4,5-a]carbazole-2-ol; 2H-Pyrimido[4,5-a]carbazol-2-one, 1,11-dihydro- |
IUPAC Name: | 1,3-dihydropyrimido[4,5-a]carbazol-2-one |
Description: | 1,11-Dihydro-2H-pyrimido[4,5-a]carbazol-2-one (CAS# 248246-47-1 ) is a useful research chemical. |
Molecular Weight: | 235.24 |
Molecular Formula: | C14H9N3O |
Canonical SMILES: | C1=CC2=C3C=CC4=CNC(=O)NC4=C3N=C2C=C1 |
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 |
Purity: | 97 % |
Density: | 1.51±0.1 g/cm3 (Predicted) |
Complexity: | 697 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 235.074561919 |
Formal Charge: | 0 |
Heavy Atom Count: | 18 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 235.074561919 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 53.5 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.3 |
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