Chemical ID: 4109665

COc1ccc(cc1OC)CCC(=O)O
Chemical ID:
4109665
Name [?]:
3-(3,4-dimethoxyphenyl)propanoic acid
SMILES [?]:
COc1ccc(cc1OC)CCC(=O)O
InChi [?]:
InChI=1/C11H14O4/c1-14-9-5-3-8(4-6-11(12)13)7-10(9)15-2/h3,5,7H,4,6H2,1-2H3,(H,12,13)
InChi Info:
AuxInfo=1/1/N:1,10,5,11,4,12,7,6,3,8,13,14,15,2,9/E:(12,13)/rA:15nCOCCCCCCOCCCCOO/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;s6;s11;s12;d13;s13;/rC:;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C11H14O4
All Atoms:15
Heavy Atoms:15
Chiral Atoms:0
ZAP Information [?]
Total:4.57864
Area:398.311
Solvation:-5.37914
Coulombic:-39.6725
Bond Count [?]
All:15
Single:11
Double:4
Rotors:5
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:210.226
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:1.18
LogP (Chemaxon):1.57

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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