Chemical ID: 4237385

Cc1ccc(c(c1)C(=O)C)OCC(=O)OC
Chemical ID:
4237385
Name [?]:
methyl 2-(2-acetyl-4-methyl-phenoxy)acetate
SMILES [?]:
Cc1ccc(c(c1)C(=O)C)OCC(=O)OC
InChi [?]:
InChI=1/C12H14O4/c1-8-4-5-11(10(6-8)9(2)13)16-7-12(14)15-3/h4-6H,7H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,10,16,3,4,7,12,2,8,6,5,13,9,14,15,11/rA:16nCCCCCCCCOCOCCOOC/rB:s1;s2;d3;s4;d5;d2s6;s6;d8;s8;s5;s11;s12;d13;s13;s15;/rC:;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C12H14O4
All Atoms:16
Heavy Atoms:16
Chiral Atoms:0
ZAP Information [?]
Total:4.74125
Area:410.15
Solvation:-5.5125
Coulombic:-31.8729
Bond Count [?]
All:16
Single:11
Double:5
Rotors:5
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:222.237
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:1.92
LogP (Chemaxon):1.14

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