Chemical ID: 4727009

c1cc(c2c(c1)OCCCO2)C(=O)O
Chemical ID:
4727009
Name [?]:
2,6-dioxabicyclo[5.4.0]undeca-8,10,12-triene-11-carboxylic acid
SMILES [?]:
c1cc(c2c(c1)OCCCO2)C(=O)O
InChi [?]:
InChI=1/C10H10O4/c11-10(12)7-3-1-4-8-9(7)14-6-2-5-13-8/h1,3-4H,2,5-6H2,(H,11,12)
InChi Info:
AuxInfo=1/1/N:1,9,2,6,8,10,3,5,4,12,13,14,7,11/E:(11,12)/rA:14nCCCCCCOCCCOCOO/rB:s1;d2;s3;d4;d1s5;s5;s7;s8;s9;s4s10;s3;d12;s12;/rC:;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C10H10O4
All Atoms:14
Heavy Atoms:14
Chiral Atoms:0
ZAP Information [?]
Total:4.07105
Area:334.127
Solvation:-4.28211
Coulombic:-41.7068
Bond Count [?]
All:15
Single:11
Double:4
Rotors:1
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:194.184
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:1.62
LogP (Chemaxon):0.93

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