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Chemical ID: 7093317
Chemical ID:
7093317
Name [?]:
6-dimethylaminobenzofuran-2-carboxylic acid
SMILES [?]:
CN(C)c1ccc2cc(oc2c1)C(=O)O
InChi [?]:
InChI=1/C11H11NO3/c1-12(2)8-4-3-7-5-10(11(13)14)15-9(7)6-8/h3-6H,1-2H3,(H,13,14)
InChi Info:
AuxInfo=1/1/N:1,3,6,5,8,12,7,4,11,9,13,2,14,15,10/E:(1,2)(13,14)/rA:15nCNCCCCCCCOCCCOO/rB:s1;s2;s2;s4;d5;s6;s7;d8;s9;d7s10;d4s11;s9;d13;s13;/rC:;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C11H11NO3 |
All Atoms: | 26 |
Heavy Atoms: | 15 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 6.79731 |
Area: | 375.828 |
Solvation: | -2.5984 |
Coulombic: | -42.425 |
Bond Count [?]
All: | 16 |
Single: | 11 |
Double: | 5 |
Rotors: | 2 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 205.21 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 1.9 |
LogP (Chemaxon): | 1.33 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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