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Chemical ID: 6707200
Chemical ID:
6707200
Name [?]:
3-methylbenzofuran-2-carboxylate
SMILES [?]:
Cc1c2ccccc2oc1C(=O)[O-]
InChi [?]:
InChI=1/C10H8O3/c1-6-7-4-2-3-5-8(7)13-9(6)10(11)12/h2-5H,1H3,(H,11,12)/p-1
InChi Info:
AuxInfo=1/1/N:1,5,6,4,7,2,3,8,10,11,12,13,9/E:(11,12)/rA:13nCCCCCCCCOCCOO-/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;d2s9;s10;d11;s11;/rC:;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C10H7O3- |
All Atoms: | 13 |
Heavy Atoms: | 13 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | -34.48 |
Area: | 327.18 |
Solvation: | -42.6595 |
Coulombic: | -11.4105 |
Bond Count [?]
All: | 14 |
Single: | 9 |
Double: | 5 |
Rotors: | 1 |
Chiral: | 0 |
Rigid Segments: | 2 |
Chemical Properties
Molecular Weight: | 175.161 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 2 |
XLogP: | 1.36 |
LogP (Chemaxon): | 2.37 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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