Chemical ID: 5579507

C1C2C=CC1C(=O)C2=O
Chemical ID:
5579507
Name [?]:
bicyclo[2.2.1]hept-2-ene-5,6-dione
SMILES [?]:
C1C2C=CC1C(=O)C2=O
InChi [?]:
InChI=1/C7H6O2/c8-6-4-1-2-5(3-4)7(6)9/h1-2,4-5H,3H2
InChi Info:
AuxInfo=1/0/N:3,4,1,2,5,8,6,9,7/E:(1,2)(4,5)(6,7)(8,9)/rA:9cCCCCCCOCO/rB:s1;s2;d3;s1s4;s5;d6;s2s6;d8;/rC:;;;;;;;;;

Chemical Details

Atom Count
Formula:C7H6O2
All Atoms:9
Heavy Atoms:9
Chiral Atoms:2
ZAP Information [?]
Total:3.82128
Area:259.84
Solvation:-2.67472
Coulombic:-16.2491
Bond Count [?]
All:10
Single:7
Double:3
Rotors:0
Chiral:0
Rigid Segments:1
Chemical Properties
Molecular Weight:122.121
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:-0.48
LogP (Chemaxon):1.57

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Descriptor Annotations

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