Chemical ID: 7155586

CCOc1ccc(cc1C(=O)O)C=O
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

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