Chemical ID: 4260176

COc1cc(cc(c1O)OC)C(=O)O
Chemical ID:
4260176
Name [?]:
4-hydroxy-3,5-dimethoxy-benzoic acid
SMILES [?]:
COc1cc(cc(c1O)OC)C(=O)O
InChi [?]:
InChI=1/C9H10O5/c1-13-6-3-5(9(11)12)4-7(14-2)8(6)10/h3-4,10H,1-2H3,(H,11,12)
InChi Info:
AuxInfo=1/1/N:1,11,4,6,5,3,7,8,12,9,13,14,2,10/E:(1,2)(3,4)(6,7)(11,12)(13,14)/rA:14nCOCCCCCCOOCCOO/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s7;s10;s5;d12;s12;/rC:;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C9H10O5
All Atoms:14
Heavy Atoms:14
Chiral Atoms:0
ZAP Information [?]
Total:3.49026
Area:357.558
Solvation:-5.44869
Coulombic:-56.5326
Bond Count [?]
All:14
Single:10
Double:4
Rotors:3
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:198.173
H-Bond Donors:2
H-Bond Acceptors:5
XLogP:1.06
LogP (Chemaxon):0.77

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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