Chemical ID: 4536275

C1C(C(OC1=O)C(=O)O)C(=O)O
Chemical ID:
4536275
Name [?]:
5-oxotetrahydrofuran-2,3-dicarboxylic acid
SMILES [?]:
C1C(C(OC1=O)C(=O)O)C(=O)O
InChi [?]:
InChI=1/C6H6O6/c7-3-1-2(5(8)9)4(12-3)6(10)11/h2,4H,1H2,(H,8,9)(H,10,11)
InChi Info:
AuxInfo=1/1/N:1,2,5,3,10,7,6,11,12,8,9,4/E:(8,9)(10,11)/rA:12cCCCOCOCOOCOO/rB:s1;s2;s3;s1s4;d5;s3;d7;s7;s2;d10;s10;/rC:;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C6H6O6
All Atoms:12
Heavy Atoms:12
Chiral Atoms:2
ZAP Information [?]
Total:2.378
Area:305.334
Solvation:-5.25534
Coulombic:-65.9105
Bond Count [?]
All:12
Single:9
Double:3
Rotors:2
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:174.108
H-Bond Donors:2
H-Bond Acceptors:6
XLogP:-1.24
LogP (Chemaxon):-0.78

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