Chemical ID: 6660168

COc1cc(cc(c1C(=O)OC)OC)O
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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