Chemical ID: 4943048

c1ccc2c(c1)OC(=C(O2)C(=O)O)C(=O)O
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

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Descriptor Annotations

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