Chemical ID: 7088895

COc1cc(cc(c1C=O)OC)OCCCC(=O)O
Chemical ID:
7088895
Name [?]:
4-(4-formyl-3,5-dimethoxy-phenoxy)butanoic acid
SMILES [?]:
COc1cc(cc(c1C=O)OC)OCCCC(=O)O
InChi [?]:
InChI=1/C13H16O6/c1-17-11-6-9(19-5-3-4-13(15)16)7-12(18-2)10(11)8-14/h6-8H,3-5H2,1-2H3,(H,15,16)
InChi Info:
AuxInfo=1/1/N:1,12,15,16,14,4,6,9,5,8,3,7,17,10,18,19,2,11,13/E:(1,2)(6,7)(11,12)(15,16)(17,18)/rA:19nCOCCCCCCCOOCOCCCCOO/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;d9;s7;s11;s5;s13;s14;s15;s16;d17;s17;/rC:;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C13H16O6
All Atoms:35
Heavy Atoms:19
Chiral Atoms:0
ZAP Information [?]
Total:4.23574
Area:471.123
Solvation:-7.54233
Coulombic:-51.3954
Bond Count [?]
All:19
Single:14
Double:5
Rotors:8
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:268.263
H-Bond Donors:1
H-Bond Acceptors:6
XLogP:1.36
LogP (Chemaxon):0.94

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