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Home > Other Heterocycles > 26377-49-1
26377-49-1 | 2-Azabicyclo[3.1.0]hex-3-ene
CAS No: 26377-49-1 Catalog No: AG002SY5 MDL No:
Product Description
Catalog Number:
AG002SY5
Chemical Name:
2-Azabicyclo[3.1.0]hex-3-ene
CAS Number:
26377-49-1
Molecular Formula:
C5H7N
Molecular Weight:
81.1158
IUPAC Name:
2-azabicyclo[3.1.0]hex-3-ene
InChI:
InChI=1S/C5H7N/c1-2-6-5-3-4(1)5/h1-2,4-6H,3H2
InChI Key:
WNMNVHNIHAPNAA-UHFFFAOYSA-N
SMILES:
C1=CC2C(N1)C2
Properties
Complexity:
96.1
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
81.058g/mol
Formal Charge:
0
Heavy Atom Count:
6
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
81.118g/mol
Monoisotopic Mass:
81.058g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
12A^2
Undefined Atom Stereocenter Count:
3
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
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