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Home > Other Heterocycles > 278-36-4
278-36-4 | 7-Azabicyclo[4.2.0]octane
CAS No: 278-36-4 Catalog No: AG00I58C MDL No:MFCD11204150
Product Description
Catalog Number:
AG00I58C
Chemical Name:
7-Azabicyclo[4.2.0]octane
CAS Number:
278-36-4
Molecular Formula:
C7H13N
Molecular Weight:
111.1848
MDL Number:
MFCD11204150
IUPAC Name:
7-azabicyclo[4.2.0]octane
InChI:
InChI=1S/C7H13N/c1-2-4-7-6(3-1)5-8-7/h6-8H,1-5H2
InChI Key:
OQDPEXFDRKDVPE-UHFFFAOYSA-N
SMILES:
C1CCC2C(C1)NC2
Properties
Complexity:
90.4
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
111.105g/mol
Formal Charge:
0
Heavy Atom Count:
8
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
111.188g/mol
Monoisotopic Mass:
111.105g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
12A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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