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Chemical ID: 6694836
Chemical ID:
6694836
Name [?]:
methyl 2-(4-methylphenoxy)acetate
SMILES [?]:
Cc1ccc(cc1)OCC(=O)OC
InChi [?]:
InChI=1/C10H12O3/c1-8-3-5-9(6-4-8)13-7-10(11)12-2/h3-6H,7H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,13,3,7,4,6,9,2,5,10,11,12,8/E:(3,4)(5,6)/rA:13nCCCCCCCOCCOOC/rB:s1;s2;d3;s4;d5;d2s6;s5;s8;s9;d10;s10;s12;/rC:;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C10H12O3 |
All Atoms: | 13 |
Heavy Atoms: | 13 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 5.76805 |
Area: | 362.345 |
Solvation: | -3.29056 |
Coulombic: | -27.0545 |
Bond Count [?]
All: | 13 |
Single: | 9 |
Double: | 4 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 180.2 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 3 |
XLogP: | 2.08 |
LogP (Chemaxon): | 1.83 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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