Chemical ID: 4728644

Cc1c(c(cc(c1O)C(=O)C)C(=O)C)O
Chemical ID:
4728644
Name [?]:
1-(5-acetyl-2,4-dihydroxy-3-methyl-phenyl)ethanone
SMILES [?]:
Cc1c(c(cc(c1O)C(=O)C)C(=O)C)O
InChi [?]:
InChI=1/C11H12O4/c1-5-10(14)8(6(2)12)4-9(7(3)13)11(5)15/h4,14-15H,1-3H3
InChi Info:
AuxInfo=1/0/N:1,11,14,5,2,9,12,6,4,7,3,10,13,8,15/E:(2,3)(6,7)(8,9)(10,11)(12,13)(14,15)/rA:15nCCCCCCCOCOCCOCO/rB:s1;s2;d3;s4;d5;d2s6;s7;s6;d9;s9;s4;d12;s12;s3;/rC:;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C11H12O4
All Atoms:15
Heavy Atoms:15
Chiral Atoms:0
ZAP Information [?]
Total:3.51877
Area:368.54
Solvation:-5.69474
Coulombic:-42.9503
Bond Count [?]
All:15
Single:10
Double:5
Rotors:2
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:208.211
H-Bond Donors:2
H-Bond Acceptors:4
XLogP:1.97
LogP (Chemaxon):1.86

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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