Chemical ID: 4558126

c1ccc2c(c1)C(=O)C3(C2(OC(=C3C(=O)O)CO)O)O
Chemical ID:
4558126
Name [?]:
None
SMILES [?]:
c1ccc2c(c1)C(=O)C3(C2(OC(=C3C(=O)O)CO)O)O
InChi [?]:
InChI=1/C13H10O7/c14-5-8-9(11(16)17)12(18)10(15)6-3-1-2-4-7(6)13(12,19)20-8/h1-4,14,18-19H,5H2,(H,16,17)
InChi Info:
AuxInfo=1/1/N:1,2,6,3,17,5,4,12,13,7,14,9,10,18,8,15,16,20,19,11/E:(16,17)/rA:20cCCCCCCCOCCOCCCOOCOOO/rB:s1;d2;s3;d4;d1s5;s5;d7;s7;s4s9;s10;s11;s9d12;s13;d14;s14;s12;s17;s10;s9;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C13H10O7
All Atoms:20
Heavy Atoms:20
Chiral Atoms:2
ZAP Information [?]
Total:5.22895
Area:413.688
Solvation:-5.11324
Coulombic:-96.254
Bond Count [?]
All:22
Single:16
Double:6
Rotors:2
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:278.214
H-Bond Donors:4
H-Bond Acceptors:7
XLogP:-0.45
LogP (Chemaxon):-0.74

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