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Chemical ID: 4270941
Chemical ID:
4270941
Name [?]:
methyl 4-[(4-methoxyphenoxy)methyl]benzoate
SMILES [?]:
COc1ccc(cc1)OCc2ccc(cc2)C(=O)OC
InChi [?]:
InChI=1/C16H16O4/c1-18-14-7-9-15(10-8-14)20-11-12-3-5-13(6-4-12)16(17)19-2/h3-10H,11H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,20,12,16,13,15,4,8,5,7,10,11,14,3,6,17,18,2,19,9/E:(3,4)(5,6)(7,8)(9,10)/rA:20nCOCCCCCCOCCCCCCCCOOC/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;s9;s10;s11;d12;s13;d14;d11s15;s14;d17;s17;s19;/rC:;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H16O4 |
All Atoms: | 20 |
Heavy Atoms: | 20 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.83857 |
Area: | 487.611 |
Solvation: | -4.3517 |
Coulombic: | -35.8012 |
Bond Count [?]
All: | 21 |
Single: | 14 |
Double: | 7 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 272.296 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 4 |
XLogP: | 3.5 |
LogP (Chemaxon): | 2.87 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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