Chemical ID: 6683447

COC(=O)c1cc(c(c(c1)O)O)O
Chemical ID:
6683447
Name [?]:
methyl 3,4,5-trihydroxybenzoate
SMILES [?]:
COC(=O)c1cc(c(c(c1)O)O)O
InChi [?]:
InChI=1/C8H8O5/c1-13-8(12)4-2-5(9)7(11)6(10)3-4/h2-3,9-11H,1H3
InChi Info:
AuxInfo=1/0/N:1,6,10,5,7,9,8,3,13,11,12,4,2/E:(2,3)(5,6)(9,10)/rA:13nCOCOCCCCCCOOO/rB:s1;s2;d3;s3;s5;d6;s7;d8;d5s9;s9;s8;s7;/rC:;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C8H8O5
All Atoms:13
Heavy Atoms:13
Chiral Atoms:0
ZAP Information [?]
Total:3.84438
Area:343.886
Solvation:-4.75277
Coulombic:-66.0802
Bond Count [?]
All:13
Single:9
Double:4
Rotors:2
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:184.146
H-Bond Donors:3
H-Bond Acceptors:5
XLogP:1.38
LogP (Chemaxon):0.74

Name Annotations

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Descriptor Annotations

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