200,000+ products from a single source!
sales@angenechem.com
Home > Other Heterocycles > 7129-31-9
7129-31-9 | 9-Azabicyclo[4.2.1]nona-2,4-diene
CAS No: 7129-31-9 Catalog No: AG0069H4 MDL No:MFCD18823132
Product Description
Catalog Number:
AG0069H4
Chemical Name:
9-Azabicyclo[4.2.1]nona-2,4-diene
CAS Number:
7129-31-9
Molecular Formula:
C8H11N
Molecular Weight:
121.1796
MDL Number:
MFCD18823132
IUPAC Name:
9-azabicyclo[4.2.1]nona-2,4-diene
InChI:
InChI=1S/C8H11N/c1-2-4-8-6-5-7(3-1)9-8/h1-4,7-9H,5-6H2
InChI Key:
REILICYQYHWFDU-UHFFFAOYSA-N
SMILES:
C1=CC2CCC(C=C1)N2
Properties
Complexity:
140
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
121.089g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
121.183g/mol
Monoisotopic Mass:
121.089g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
12A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
Related Products
© 2019 Angene International Limited. All rights Reserved.