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Chemical ID: 6660168
Chemical ID:
6660168
Name [?]:
methyl 4-hydroxy-2,6-dimethoxy-benzoate
SMILES [?]:
COc1cc(cc(c1C(=O)OC)OC)O
InChi [?]:
InChI=1/C10H12O5/c1-13-7-4-6(11)5-8(14-2)9(7)10(12)15-3/h4-5,11H,1-3H3
InChi Info:
AuxInfo=1/0/N:1,14,12,4,6,5,3,7,8,9,15,10,2,13,11/E:(1,2)(4,5)(7,8)(13,14)/rA:15nCOCCCCCCCOOCOCO/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;d9;s9;s11;s7;s13;s5;/rC:;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C10H12O5 |
All Atoms: | 15 |
Heavy Atoms: | 15 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 4.29759 |
Area: | 383.462 |
Solvation: | -5.28895 |
Coulombic: | -48.2401 |
Bond Count [?]
All: | 15 |
Single: | 11 |
Double: | 4 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 212.199 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 5 |
XLogP: | 1.38 |
LogP (Chemaxon): | 0.8 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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