Chemical ID: 6623628

c1ccc(cc1)c2cc(=O)c2=O
Chemical ID:
6623628
Name [?]:
2-phenylcyclobut-2-ene-1,4-dione
SMILES [?]:
c1ccc(cc1)c2cc(=O)c2=O
InChi [?]:
InChI=1/C10H6O2/c11-9-6-8(10(9)12)7-4-2-1-3-5-7/h1-6H
InChi Info:
AuxInfo=1/0/N:1,2,6,3,5,8,4,7,9,11,10,12/E:(2,3)(4,5)/rA:12nCCCCCCCCCOCO/rB:s1;d2;s3;d4;d1s5;s4;d7;s8;d9;s7s9;d11;/rC:;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C10H6O2
All Atoms:12
Heavy Atoms:12
Chiral Atoms:0
ZAP Information [?]
Total:5.57188
Area:326.944
Solvation:-2.60173
Coulombic:-18.0025
Bond Count [?]
All:13
Single:7
Double:6
Rotors:1
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:158.153
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:1.36
LogP (Chemaxon):1.46

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