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77483-80-8 | 2,3,3a,5,6,6a-Hexahydropentalene-1,4-dione
CAS No: 77483-80-8 Catalog No: AG005HGR MDL No:
Product Description
Catalog Number:
AG005HGR
Chemical Name:
2,3,3a,5,6,6a-Hexahydropentalene-1,4-dione
CAS Number:
77483-80-8
Molecular Formula:
C8H10O2
Molecular Weight:
138.1638
IUPAC Name:
2,3,3a,5,6,6a-hexahydropentalene-1,4-dione
InChI:
InChI=1S/C8H10O2/c9-7-3-1-5-6(7)2-4-8(5)10/h5-6H,1-4H2
InChI Key:
CRNNTLZNPCCYDD-UHFFFAOYSA-N
SMILES:
O=C1CCC2C1CCC2=O
NSC Number:
245872
Properties
Complexity:
173
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
138.068g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
138.166g/mol
Monoisotopic Mass:
138.068g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
34.1A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.1
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