Chemical ID: 6740762

c1cc(ccc1C(=O)[O-])OCc2ccc(o2)C(=O)[O-]
Chemical ID:
6740762
Name [?]:
5-[(4-carboxylatophenoxy)methyl]furan-2-carboxylate
SMILES [?]:
c1cc(ccc1C(=O)[O-])OCc2ccc(o2)C(=O)[O-]
InChi [?]:
InChI=1/C13H10O6/c14-12(15)8-1-3-9(4-2-8)18-7-10-5-6-11(19-10)13(16)17/h1-6H,7H2,(H,14,15)(H,16,17)/p-2
InChi Info:
AuxInfo=1/1/N:1,5,2,4,13,14,11,6,3,12,15,7,17,8,9,18,19,10,16/E:(1,2)(3,4)(14,15)(16,17)/rA:19nCCCCCCCOO-OCCCCCOCOO-/rB:s1;d2;s3;d4;d1s5;s6;d7;s7;s3;s10;s11;d12;s13;d14;s12s15;s15;d17;s17;/rC:;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C13H8O6-2
All Atoms:27
Heavy Atoms:19
Chiral Atoms:0
ZAP Information [?]
Total:-90.4211
Area:455.866
Solvation:-101.818
Coulombic:-2.6535
Bond Count [?]
All:20
Single:13
Double:7
Rotors:5
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:260.199
H-Bond Donors:0
H-Bond Acceptors:5
XLogP:0.63
LogP (Chemaxon):1.31

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