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158933-35-8 | 1H-2,5-Ethanocyclopenta[c]pyrrole (9CI)
CAS No: 158933-35-8 Catalog No: AG001R06 MDL No:
Product Description
Catalog Number:
AG001R06
Chemical Name:
1H-2,5-Ethanocyclopenta[c]pyrrole (9CI)
CAS Number:
158933-35-8
Molecular Formula:
C9H9N
Molecular Weight:
131.1745
IUPAC Name:
1-azatricyclo[3.3.2.03,7]deca-2,4,6-triene
InChI:
InChI=1S/C9H9N/c1-2-10-5-8-3-7(1)4-9(8)6-10/h3-5H,1-2,6H2
InChI Key:
KBUZXPRLJADSHV-UHFFFAOYSA-N
SMILES:
C1CC2=CC3=CN1CC3=C2
Properties
Complexity:
281
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
131.073g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
131.178g/mol
Monoisotopic Mass:
131.073g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
3.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5
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