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Home > Other Heterocycles > 91201-94-4
91201-94-4 | 7-ETHYL-7-AZABICYCLO[4.2.0]OCTA-1,3,5-TRIEN-8-ONE
CAS No: 91201-94-4 Catalog No: AG006DK3 MDL No:
Product Description
Catalog Number:
AG006DK3
Chemical Name:
7-ETHYL-7-AZABICYCLO[4.2.0]OCTA-1,3,5-TRIEN-8-ONE
CAS Number:
91201-94-4
Molecular Formula:
C9H9NO
Molecular Weight:
147.1739
IUPAC Name:
7-ethyl-7-azabicyclo[4.2.0]octa-1,3,5-trien-8-one
InChI:
InChI=1S/C9H9NO/c1-2-10-8-6-4-3-5-7(8)9(10)11/h3-6H,2H2,1H3
InChI Key:
NWEHBUAFYQQJSR-UHFFFAOYSA-N
SMILES:
CCN1C(=O)c2c1cccc2
Properties
Complexity:
178
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
147.068g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
147.177g/mol
Monoisotopic Mass:
147.068g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
20.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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