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265-81-6 | Cycloocta[c]pyridazine (8CI,9CI)
CAS No: 265-81-6 Catalog No: AG002TH7 MDL No:
Product Description
Catalog Number:
AG002TH7
Chemical Name:
Cycloocta[c]pyridazine (8CI,9CI)
CAS Number:
265-81-6
Molecular Formula:
C10H8N2
Molecular Weight:
156.1839
IUPAC Name:
(5Z,7Z,9Z)-cycloocta[c]pyridazine
InChI:
InChI=1S/C10H8N2/c1-2-4-6-10-9(5-3-1)7-8-11-12-10/h1-8H/b2-1-,3-1?,4-2?,5-3-,6-4-,9-5?,10-6?
InChI Key:
LVXISFZEKNJQEN-JRYKUCHZSA-N
SMILES:
C1=CC=Cc2c(C=C1)nncc2
Properties
Complexity:
228
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
3
Exact Mass:
156.069g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
156.188g/mol
Monoisotopic Mass:
156.069g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
25.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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