2,5(1H,3H)-Pentalenedione, tetrahydro-, cis-


Chemical Name: 2,5(1H,3H)-Pentalenedione, tetrahydro-, cis-
CAS Number: 51716-63-3
Product Number: AG00DBVQ(AGN-PC-0OBK5B)
Synonyms:
MDL No:
Molecular Formula: C8H10O2
Molecular Weight: 138.1638

Identification/Properties


Computed Properties
Molecular Weight:
138.166g/mol
XLogP3:
-0.4
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
2
Rotatable Bond Count:
0
Exact Mass:
138.068g/mol
Monoisotopic Mass:
138.068g/mol
Topological Polar Surface Area:
34.1A^2
Heavy Atom Count:
10
Formal Charge:
0
Complexity:
157
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

Safety Information


GHS Pictogram:
Signal Word:
Warning
UN#:
N/A
Hazard Statements:
H302-H315-H319-H335
Precautionary Statements:
P261-P305+P351+P338
Class:
N/A
Packing Group:
N/A

NMR Spectrum


PNMR/cis-Bicyclo3.3.0octane-37-dione-51716-63-3-hnmr.pdf

Other Analytical Data


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