Chemical ID: 6419188

CC(=O)Oc1ccc(cc1OC(=O)C)C=O
Chemical ID:
6419188
Name [?]:
(2-acetoxy-4-formyl-phenyl) acetate
SMILES [?]:
CC(=O)Oc1ccc(cc1OC(=O)C)C=O
InChi [?]:
InChI=1/C11H10O5/c1-7(13)15-10-4-3-9(6-12)5-11(10)16-8(2)14/h3-6H,1-2H3
InChi Info:
AuxInfo=1/0/N:1,14,7,6,9,15,2,12,8,5,10,16,3,13,4,11/rA:16nCCOOCCCCCCOCOCCO/rB:s1;d2;s2;s4;s5;d6;s7;d8;d5s9;s10;s11;d12;s12;s8;d15;/rC:;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C11H10O5
All Atoms:16
Heavy Atoms:16
Chiral Atoms:0
ZAP Information [?]
Total:6.22376
Area:403.524
Solvation:-3.86433
Coulombic:-41.3569
Bond Count [?]
All:16
Single:10
Double:6
Rotors:5
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:222.194
H-Bond Donors:0
H-Bond Acceptors:5
XLogP:1.02
LogP (Chemaxon):0.72

Name Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

ChemicalMix SourceExternal IDDescriptorValue

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue