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Chemical ID: 6690491
Chemical ID:
6690491
Name [?]:
5-ethoxy-2-hydroxy-benzoic acid
SMILES [?]:
CCOc1ccc(c(c1)C(=O)O)O
InChi [?]:
InChI=1/C9H10O4/c1-2-13-6-3-4-8(10)7(5-6)9(11)12/h3-5,10H,2H2,1H3,(H,11,12)
InChi Info:
AuxInfo=1/1/N:1,2,5,6,9,4,8,7,10,13,11,12,3/E:(11,12)/rA:13nCCOCCCCCCCOOO/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s8;d10;s10;s7;/rC:;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C9H10O4 |
All Atoms: | 13 |
Heavy Atoms: | 13 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 4.88203 |
Area: | 345.714 |
Solvation: | -3.76083 |
Coulombic: | -49.6365 |
Bond Count [?]
All: | 13 |
Single: | 9 |
Double: | 4 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 182.173 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 4 |
XLogP: | 2.77 |
LogP (Chemaxon): | 2.02 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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