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Home Other Building Blocks 1,2,4,5,6,7,8,8A-OCTAHYDROAZULEN-2-ONE

1,2,4,5,6,7,8,8A-OCTAHYDROAZULEN-2-ONE

CAS No.:
61154-46-9
Catalog Number:
AG01DWJ5
Molecular Formula:
C10H14O
Molecular Weight:
150.2176
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Product Description
Catalog Number:
AG01DWJ5
Chemical Name:
1,2,4,5,6,7,8,8A-OCTAHYDROAZULEN-2-ONE
CAS Number:
61154-46-9
Molecular Formula:
C10H14O
Molecular Weight:
150.2176
MDL Number:
MFCD24688220
IUPAC Name:
4,5,6,7,8,8a-hexahydro-1H-azulen-2-one
InChI:
InChI=1S/C10H14O/c11-10-6-8-4-2-1-3-5-9(8)7-10/h6,9H,1-5,7H2
InChI Key:
LPTBBUOSXDRPJK-UHFFFAOYSA-N
SMILES:
O=C1CC2C(=C1)CCCCC2
Properties
Complexity:
203  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
150.104g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
150.221g/mol
Monoisotopic Mass:
150.104g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1  
Literature
Title Journal
Rhodium(I)-catalyzed intramolecular pauson-khand-type [2 + 2 + 1] cycloaddition of allenenes. Organic letters 20060316
Properties