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Chemical ID: 4943048
Chemical ID:
4943048
Name [?]:
2,5-dioxabicyclo[4.4.0]deca-3,7,9,11-tetraene-3,4-dicarboxylic acid
SMILES [?]:
c1ccc2c(c1)OC(=C(O2)C(=O)O)C(=O)O
InChi [?]:
InChI=1/C10H6O6/c11-9(12)7-8(10(13)14)16-6-4-2-1-3-5(6)15-7/h1-4H,(H,11,12)(H,13,14)
InChi Info:
AuxInfo=1/1/N:1,2,6,3,5,4,8,9,14,11,15,16,12,13,7,10/E:(1,2)(3,4)(5,6)(7,8)(9,10)(11,12,13,14)(15,16)/gE:(1,2)/rA:16nCCCCCCOCCOCOOCOO/rB:s1;d2;s3;d4;d1s5;s5;s7;d8;s4s9;s9;d11;s11;s8;d14;s14;/rC:;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C10H6O6 |
All Atoms: | 16 |
Heavy Atoms: | 16 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 6.02416 |
Area: | 363.991 |
Solvation: | -3.07562 |
Coulombic: | -72.8824 |
Bond Count [?]
All: | 17 |
Single: | 11 |
Double: | 6 |
Rotors: | 2 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 222.151 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 6 |
XLogP: | 1.17 |
LogP (Chemaxon): | 0.73 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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