Chemical ID: 6707200

Cc1c2ccccc2oc1C(=O)[O-]
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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