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Chemical ID: 6623628
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 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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