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Home > Other Heterocycles > 141708-04-5
141708-04-5 | 1-Azabicyclo[2.2.1]hept-2-ene
CAS No: 141708-04-5 Catalog No: AG001GX8 MDL No:
Product Description
Catalog Number:
AG001GX8
Chemical Name:
1-Azabicyclo[2.2.1]hept-2-ene
CAS Number:
141708-04-5
Molecular Formula:
C6H9N
Molecular Weight:
95.1424
IUPAC Name:
1-azabicyclo[2.2.1]hept-2-ene
InChI:
InChI=1S/C6H9N/c1-3-7-4-2-6(1)5-7/h1,3,6H,2,4-5H2
InChI Key:
KDKPQRFZGNDVSG-UHFFFAOYSA-N
SMILES:
C1CN2CC1C=C2
Properties
Complexity:
107
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
95.073g/mol
Formal Charge:
0
Heavy Atom Count:
7
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
95.145g/mol
Monoisotopic Mass:
95.073g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
3.2A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
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