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Home > Other Heterocycles > 82450-02-0
82450-02-0 | 3-Azabicyclo[4.2.0]octa-1(6),4-dien-2-one
CAS No: 82450-02-0 Catalog No: AG004VXZ MDL No:
Product Description
Catalog Number:
AG004VXZ
Chemical Name:
3-Azabicyclo[4.2.0]octa-1(6),4-dien-2-one
CAS Number:
82450-02-0
Molecular Formula:
C7H7NO
Molecular Weight:
121.1366
IUPAC Name:
3-azabicyclo[4.2.0]octa-1(6),4-dien-2-one
InChI:
InChI=1S/C7H7NO/c9-7-6-2-1-5(6)3-4-8-7/h3-4H,1-2H2,(H,8,9)
InChI Key:
WXCVAKPVFPOUQO-UHFFFAOYSA-N
SMILES:
O=c1[nH]ccc2c1CC2
Properties
Complexity:
225
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
121.053g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
121.139g/mol
Monoisotopic Mass:
121.053g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
29.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.1
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