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114061-31-3 | 2,6a-Methano-1H-cyclopenta[c]-1,2-diazocine (9CI)
CAS No: 114061-31-3 Catalog No: AG000AGA MDL No:
Product Description
Catalog Number:
AG000AGA
Chemical Name:
2,6a-Methano-1H-cyclopenta[c]-1,2-diazocine (9CI)
CAS Number:
114061-31-3
Molecular Formula:
C10H10N2
Molecular Weight:
158.1998
IUPAC Name:
6,7-diazatricyclo[5.4.1.01,5]dodeca-2,4,8,10-tetraene
InChI:
InChI=1S/C10H10N2/c1-2-7-12-8-10(5-1)6-3-4-9(10)11-12/h1-7,11H,8H2
InChI Key:
DWALARHZAYOYBP-UHFFFAOYSA-N
SMILES:
C1=CN2NC3=CC=CC3(C=C1)C2
Properties
Complexity:
336
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
158.084g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
158.204g/mol
Monoisotopic Mass:
158.084g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
15.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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