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Chemical ID: 6725323
Chemical ID:
6725323
Name [?]:
4-[(4-methoxyphenoxy)methyl]benzoate
SMILES [?]:
COc1ccc(cc1)OCc2ccc(cc2)C(=O)[O-]
InChi [?]:
InChI=1/C15H14O4/c1-18-13-6-8-14(9-7-13)19-10-11-2-4-12(5-3-11)15(16)17/h2-9H,10H2,1H3,(H,16,17)/p-1
InChi Info:
AuxInfo=1/1/N:1,12,16,13,15,4,8,5,7,10,11,14,3,6,17,18,19,2,9/E:(2,3)(4,5)(6,7)(8,9)(16,17)/rA:19nCOCCCCCCOCCCCCCCCOO-/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;s9;s10;s11;d12;s13;d14;d11s15;s14;d17;s17;/rC:;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H13O4- |
All Atoms: | 32 |
Heavy Atoms: | 19 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | -34.4203 |
Area: | 459.046 |
Solvation: | -45.8964 |
Coulombic: | -15.8789 |
Bond Count [?]
All: | 20 |
Single: | 13 |
Double: | 7 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 257.261 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 4 |
XLogP: | 2.7 |
LogP (Chemaxon): | 2.83 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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