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Chemical ID: 7528382
Chemical ID:
7528382
Name [?]:
ethyl 2-(4-methyl-2-tert-butyl-phenoxy)acetate
SMILES [?]:
CCOC(=O)COc1ccc(cc1C(C)(C)C)C
InChi [?]:
InChI=1/C15H22O3/c1-6-17-14(16)10-18-13-8-7-11(2)9-12(13)15(3,4)5/h7-9H,6,10H2,1-5H3
InChi Info:
AuxInfo=1/0/N:1,18,15,16,17,2,10,9,12,6,11,13,8,4,14,5,3,7/E:(3,4,5)/rA:18nCCOCOCOCCCCCCCCCCC/rB:s1;s2;s3;d4;s4;s6;s7;s8;d9;s10;d11;d8s12;s13;s14;s14;s14;s11;/rC:;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H22O3 |
All Atoms: | 40 |
Heavy Atoms: | 18 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 8.56075 |
Area: | 459.474 |
Solvation: | -2.9261 |
Coulombic: | -28.2219 |
Bond Count [?]
All: | 18 |
Single: | 14 |
Double: | 4 |
Rotors: | 6 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 4.11 |
LogP (Chemaxon): | None |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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