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Home > Other Heterocycles > 20205-48-5
20205-48-5 | 8-azabicyclo[4.2.0]oct-3-en-7-one
CAS No: 20205-48-5 Catalog No: AG00280L MDL No:MFCD00830733
Product Description
Catalog Number:
AG00280L
Chemical Name:
8-azabicyclo[4.2.0]oct-3-en-7-one
CAS Number:
20205-48-5
Molecular Formula:
C7H9NO
Molecular Weight:
123.1525
MDL Number:
MFCD00830733
IUPAC Name:
7-azabicyclo[4.2.0]oct-3-en-8-one
InChI:
InChI=1S/C7H9NO/c9-7-5-3-1-2-4-6(5)8-7/h1-2,5-6H,3-4H2,(H,8,9)
InChI Key:
IHROAFZNBVGGFN-UHFFFAOYSA-N
SMILES:
O=C1NC2C1CC=CC2
NSC Number:
174620
Properties
Complexity:
174
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
123.068g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
123.155g/mol
Monoisotopic Mass:
123.068g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
29.1A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5
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