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Chemical ID: 7007010
Chemical ID:
7007010
Name [?]:
methyl 2-[4-(2-methylphenoxy)phenoxy]acetate
SMILES [?]:
Cc1ccccc1Oc2ccc(cc2)OCC(=O)OC
InChi [?]:
InChI=1/C16H16O4/c1-12-5-3-4-6-15(12)20-14-9-7-13(8-10-14)19-11-16(17)18-2/h3-10H,11H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,20,4,5,3,6,11,13,10,14,16,2,12,9,7,17,18,19,15,8/E:(7,8)(9,10)/rA:20nCCCCCCCOCCCCCCOCCOOC/rB:s1;s2;d3;s4;d5;d2s6;s7;s8;s9;d10;s11;d12;d9s13;s12;s15;s16;d17;s17;s19;/rC:;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H16O4 |
All Atoms: | 36 |
Heavy Atoms: | 20 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.65301 |
Area: | 476.601 |
Solvation: | -4.26202 |
Coulombic: | -35.098 |
Bond Count [?]
All: | 21 |
Single: | 14 |
Double: | 7 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 272.296 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 4 |
XLogP: | 3.35 |
LogP (Chemaxon): | 3.26 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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