Chemical ID: 6614996

Cc1ccc2c(c(oc2c1)C(=O)O)C
Chemical ID:
6614996
Name [?]:
3,6-dimethylbenzofuran-2-carboxylic acid
SMILES [?]:
Cc1ccc2c(c(oc2c1)C(=O)O)C
InChi [?]:
InChI=1/C11H10O3/c1-6-3-4-8-7(2)10(11(12)13)14-9(8)5-6/h3-5H,1-2H3,(H,12,13)
InChi Info:
AuxInfo=1/1/N:1,14,3,4,10,2,6,5,9,7,11,12,13,8/E:(12,13)/rA:14nCCCCCCCOCCCOOC/rB:s1;s2;d3;s4;s5;d6;s7;d5s8;d2s9;s7;d11;s11;s6;/rC:;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C11H10O3
All Atoms:14
Heavy Atoms:14
Chiral Atoms:0
ZAP Information [?]
Total:6.80522
Area:351.946
Solvation:-1.99344
Coulombic:-37.2144
Bond Count [?]
All:15
Single:10
Double:5
Rotors:1
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:190.195
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:2.27
LogP (Chemaxon):2.84

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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