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Chemical ID: 6920237
Chemical ID:
6920237
Name [?]:
methyl 2,4,5-trimethoxybenzoate
SMILES [?]:
COc1cc(c(cc1OC)OC)C(=O)OC
InChi [?]:
InChI=1/C11H14O5/c1-13-8-6-10(15-3)9(14-2)5-7(8)11(12)16-4/h5-6H,1-4H3
InChi Info:
AuxInfo=1/0/N:12,1,10,16,4,7,5,6,3,8,13,14,11,2,9,15/rA:16nCOCCCCCCOCOCCOOC/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;s6;s11;s5;d13;s13;s15;/rC:;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C11H14O5 |
All Atoms: | 30 |
Heavy Atoms: | 16 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 3.47369 |
Area: | 398.892 |
Solvation: | -6.49862 |
Coulombic: | -38.522 |
Bond Count [?]
All: | 16 |
Single: | 12 |
Double: | 4 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 226.226 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 5 |
XLogP: | 1.44 |
LogP (Chemaxon): | 0.84 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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