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Chemical ID: 7121952
Chemical ID:
7121952
Name [?]:
4-ethoxy-3-methoxy-benzoate
SMILES [?]:
CCOc1ccc(cc1OC)C(=O)[O-]
InChi [?]:
InChI=1/C10H12O4/c1-3-14-8-5-4-7(10(11)12)6-9(8)13-2/h4-6H,3H2,1-2H3,(H,11,12)/p-1
InChi Info:
AuxInfo=1/1/N:1,11,2,6,5,8,7,4,9,12,13,14,10,3/E:(11,12)/rA:14nCCOCCCCCCOCCOO-/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s9;s10;s7;d12;s12;/rC:;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C10H11O4- |
All Atoms: | 25 |
Heavy Atoms: | 14 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | -34.1652 |
Area: | 369.513 |
Solvation: | -43.403 |
Coulombic: | -17.345 |
Bond Count [?]
All: | 14 |
Single: | 10 |
Double: | 4 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 195.192 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 4 |
XLogP: | 1.14 |
LogP (Chemaxon): | 1.4 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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