Chemical ID: 5574206

Cc1c(ccc(c1C(=O)O)OC)OC
Chemical ID:
5574206
Name [?]:
3,6-dimethoxy-2-methyl-benzoic acid
SMILES [?]:
Cc1c(ccc(c1C(=O)O)OC)OC
InChi [?]:
InChI=1/C10H12O4/c1-6-7(13-2)4-5-8(14-3)9(6)10(11)12/h4-5H,1-3H3,(H,11,12)
InChi Info:
AuxInfo=1/1/N:1,14,12,4,5,2,3,6,7,8,9,10,13,11/E:(11,12)/rA:14nCCCCCCCCOOOCOC/rB:s1;s2;d3;s4;d5;d2s6;s7;d8;s8;s6;s11;s3;s13;/rC:;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C10H12O4
All Atoms:14
Heavy Atoms:14
Chiral Atoms:0
ZAP Information [?]
Total:4.75217
Area:358.32
Solvation:-4.20583
Coulombic:-41.0721
Bond Count [?]
All:14
Single:10
Double:4
Rotors:3
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:196.2
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:1.69
LogP (Chemaxon):1.52

Name Annotations

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Descriptor Annotations

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