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150896-71-2 | 5H-Cyclopenta[2,1-b:3,4-b']dipyridine, 5-(4-pyridinylmethylene)- (9CI)
CAS No: 150896-71-2 Catalog No: AG001MXL MDL No:
Product Description
Catalog Number:
AG001MXL
Chemical Name:
5H-Cyclopenta[2,1-b:3,4-b']dipyridine, 5-(4-pyridinylmethylene)- (9CI)
CAS Number:
150896-71-2
Molecular Formula:
C17H11N3
Molecular Weight:
257.2893
IUPAC Name:
8-(pyridin-4-ylmethylidene)-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
InChI:
InChI=1S/C17H11N3/c1-3-13-15(11-12-5-9-18-10-6-12)14-4-2-8-20-17(14)16(13)19-7-1/h1-11H
InChI Key:
SPSGKBXMLUNGSD-UHFFFAOYSA-N
SMILES:
n1ccc(cc1)C=C1c2cccnc2c2c1cccn2
Properties
Complexity:
348
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
257.095g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
257.296g/mol
Monoisotopic Mass:
257.095g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
38.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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