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Chemical ID: 4237385
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
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Experimental Annotations
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Descriptor Annotations
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