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Home > Other Heterocycles > 27835-19-4
27835-19-4 | Acetamide, N-(4-oxobicyclo[3.2.0]hepta-2,6-dien-6-yl)-
CAS No: 27835-19-4 Catalog No: AG002UVY MDL No:
Product Description
Catalog Number:
AG002UVY
Chemical Name:
Acetamide, N-(4-oxobicyclo[3.2.0]hepta-2,6-dien-6-yl)-
CAS Number:
27835-19-4
Molecular Formula:
C9H9NO2
Molecular Weight:
163.1733
IUPAC Name:
N-(4-oxo-6-bicyclo[3.2.0]hepta-2,6-dienyl)acetamide
InChI:
InChI=1S/C9H9NO2/c1-5(11)10-7-4-6-2-3-8(12)9(6)7/h2-4,6,9H,1H3,(H,10,11)
InChI Key:
KDLXWXGODQFBEC-UHFFFAOYSA-N
SMILES:
CC(=O)NC1=CC2C1C(=O)C=C2
Properties
Complexity:
315
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
163.063g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
163.176g/mol
Monoisotopic Mass:
163.063g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
46.2A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.2
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