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Chemical ID: 4109665
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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