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Chemical ID: 5574206
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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Experimental Annotations
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Descriptor Annotations
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