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16783-38-3 | Pyrido[3,4,5-gh]perimidine-6,8(1H,7H)-dione
CAS No: 16783-38-3 Catalog No: AG001XN4 MDL No:
Product Description
Catalog Number:
AG001XN4
Chemical Name:
Pyrido[3,4,5-gh]perimidine-6,8(1H,7H)-dione
CAS Number:
16783-38-3
Molecular Formula:
C13H7N3O2
Molecular Weight:
237.2136
IUPAC Name:
5,7,13-triazatetracyclo[6.6.2.04,16.011,15]hexadeca-1,3,5,8(16),9,11(15)-hexaene-12,14-dione
InChI:
InChI=1S/C13H7N3O2/c17-12-6-1-3-8-11-9(15-5-14-8)4-2-7(10(6)11)13(18)16-12/h1-5H,(H,14,15)(H,16,17,18)
InChI Key:
CCDHDINTRZTUIJ-UHFFFAOYSA-N
SMILES:
O=c1[nH]c(=O)c2c3c1ccc1c3c(cc2)[nH]cn1
Properties
Complexity:
448
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
237.054g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
237.218g/mol
Monoisotopic Mass:
237.054g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
70.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
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