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240419-90-3 | 4,9-Methanopyrrolo[2',3':5,6]cyclooct[1,2-d]imidazole(9CI)
CAS No: 240419-90-3 Catalog No: AG006XLX MDL No:
Product Description
Catalog Number:
AG006XLX
Chemical Name:
4,9-Methanopyrrolo[2',3':5,6]cyclooct[1,2-d]imidazole(9CI)
CAS Number:
240419-90-3
Molecular Formula:
C12H7N3
Molecular Weight:
193.2041
IUPAC Name:
3,5,12-triazatetracyclo[6.6.1.02,6.09,13]pentadeca-1(14),2,4,6,8,10,12-heptaene
InChI:
InChI=1S/C12H7N3/c1-2-13-10-5-8-3-7(9(1)10)4-11-12(8)15-6-14-11/h1-2,4-6H,3H2
InChI Key:
SIOGGXOKKUFNTR-UHFFFAOYSA-N
SMILES:
c1nc2c(c1)c1Cc(c2)c2c(c1)ncn2
Properties
Complexity:
592
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
193.064g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
193.209g/mol
Monoisotopic Mass:
193.064g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
37.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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