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Chemical ID: 7155586
Chemical ID:
7155586
Name [?]:
2-ethoxy-5-formyl-benzoic acid
SMILES [?]:
CCOc1ccc(cc1C(=O)O)C=O
InChi [?]:
InChI=1/C10H10O4/c1-2-14-9-4-3-7(6-11)5-8(9)10(12)13/h3-6H,2H2,1H3,(H,12,13)
InChi Info:
AuxInfo=1/1/N:1,2,6,5,8,13,7,9,4,10,14,11,12,3/E:(12,13)/rA:14nCCOCCCCCCCOOCO/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s9;d10;s10;s7;d13;/rC:;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C10H10O4 |
All Atoms: | 24 |
Heavy Atoms: | 14 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 4.65106 |
Area: | 368.454 |
Solvation: | -4.56027 |
Coulombic: | -40.5504 |
Bond Count [?]
All: | 14 |
Single: | 9 |
Double: | 5 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 194.184 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 1.67 |
LogP (Chemaxon): | 1.33 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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