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Chemical ID: 4974538
Chemical ID:
4974538
Name [?]:
ethyl 4-(2-diethylaminoethoxy)benzoate
SMILES [?]:
CCN(CC)CCOc1ccc(cc1)C(=O)OCC
InChi [?]:
InChI=1/C15H23NO3/c1-4-16(5-2)11-12-19-14-9-7-13(8-10-14)15(17)18-6-3/h7-10H,4-6,11-12H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,5,19,2,4,18,11,13,10,14,6,7,12,9,15,3,16,17,8/E:(1,2)(4,5)(7,8)(9,10)/rA:19nCCNCCCCOCCCCCCCOOCC/rB:s1;s2;s3;s4;s3;s6;s7;s8;s9;d10;s11;d12;d9s13;s12;d15;s15;s17;s18;/rC:;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H23NO3 |
All Atoms: | 19 |
Heavy Atoms: | 19 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.91649 |
Area: | 501.187 |
Solvation: | -3.6132 |
Coulombic: | -32.3574 |
Bond Count [?]
All: | 19 |
Single: | 15 |
Double: | 4 |
Rotors: | 9 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 265.348 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 4 |
XLogP: | 2.99 |
LogP (Chemaxon): | 2.35 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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