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89288-55-1 | 4,8(1H,5H)-Azulenedione, 2,6,7,8a-tetrahydro-
CAS No: 89288-55-1 Catalog No: AG0040V5 MDL No:
Product Description
Catalog Number:
AG0040V5
Chemical Name:
4,8(1H,5H)-Azulenedione, 2,6,7,8a-tetrahydro-
CAS Number:
89288-55-1
Molecular Formula:
C10H12O2
Molecular Weight:
164.2011
IUPAC Name:
1,2,5,6,7,8a-hexahydroazulene-4,8-dione
InChI:
InChI=1S/C10H12O2/c11-9-5-2-6-10(12)8-4-1-3-7(8)9/h3,8H,1-2,4-6H2
InChI Key:
IUOZKYGJZXZGTH-UHFFFAOYSA-N
SMILES:
O=C1CCCC(=O)C2C1=CCC2
Properties
Complexity:
263
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
164.084g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
164.204g/mol
Monoisotopic Mass:
164.084g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
34.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7
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