Chemical ID: 4728687

CC(=O)c1c(cc(c(c1O)C(=O)C)O)O
Chemical ID:
4728687
Name [?]:
1-(3-acetyl-2,4,6-trihydroxy-phenyl)ethanone
SMILES [?]:
CC(=O)c1c(cc(c(c1O)C(=O)C)O)O
InChi [?]:
InChI=1/C10H10O5/c1-4(11)8-6(13)3-7(14)9(5(2)12)10(8)15/h3,13-15H,1-2H3
InChi Info:
AuxInfo=1/0/N:1,13,6,2,11,5,7,4,8,9,3,12,15,14,10/E:(1,2)(4,5)(6,7)(8,9)(11,12)(13,14)/rA:15nCCOCCCCCCOCOCOO/rB:s1;d2;s2;s4;d5;s6;d7;d4s8;s9;s8;d11;s11;s7;s5;/rC:;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C10H10O5
All Atoms:15
Heavy Atoms:15
Chiral Atoms:0
ZAP Information [?]
Total:4.51279
Area:371.637
Solvation:-4.77813
Coulombic:-60.6038
Bond Count [?]
All:15
Single:10
Double:5
Rotors:2
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:210.183
H-Bond Donors:3
H-Bond Acceptors:5
XLogP:1.56
LogP (Chemaxon):2.41

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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