Chemical ID: 6129590

COc1ccc(c(c1OC)C(=O)O)C(=O)O
Chemical ID:
6129590
Name [?]:
3,4-dimethoxybenzene-1,2-dicarboxylic acid
SMILES [?]:
COc1ccc(c(c1OC)C(=O)O)C(=O)O
InChi [?]:
InChI=1/C10H10O6/c1-15-6-4-3-5(9(11)12)7(10(13)14)8(6)16-2/h3-4H,1-2H3,(H,11,12)(H,13,14)
InChi Info:
AuxInfo=1/1/N:1,10,5,4,6,3,7,8,14,11,15,16,12,13,2,9/E:(11,12)(13,14)/rA:16nCOCCCCCCOCCOOCOO/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;s7;d11;s11;s6;d14;s14;/rC:;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C10H10O6
All Atoms:16
Heavy Atoms:16
Chiral Atoms:0
ZAP Information [?]
Total:4.03625
Area:376.992
Solvation:-5.38854
Coulombic:-67.2478
Bond Count [?]
All:16
Single:11
Double:5
Rotors:4
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:226.183
H-Bond Donors:2
H-Bond Acceptors:6
XLogP:0.81
LogP (Chemaxon):0.57

Name Annotations

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Descriptor Annotations

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