Chemical ID: 3966660

CCC(=O)c1c(cc(cc1O)O)O
Chemical ID:
3966660
Name [?]:
1-(2,4,6-trihydroxyphenyl)propan-1-one
SMILES [?]:
CCC(=O)c1c(cc(cc1O)O)O
InChi [?]:
InChI=1/C9H10O4/c1-2-6(11)9-7(12)3-5(10)4-8(9)13/h3-4,10,12-13H,2H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,7,9,8,3,6,10,5,12,4,13,11/E:(3,4)(7,8)(12,13)/rA:13nCCCOCCCCCCOOO/rB:s1;s2;d3;s3;s5;d6;s7;d8;d5s9;s10;s8;s6;/rC:;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C9H10O4
All Atoms:13
Heavy Atoms:13
Chiral Atoms:0
ZAP Information [?]
Total:3.91522
Area:334.398
Solvation:-4.44473
Coulombic:-53.613
Bond Count [?]
All:13
Single:9
Double:4
Rotors:2
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:182.173
H-Bond Donors:3
H-Bond Acceptors:4
XLogP:1.54
LogP (Chemaxon):2.43

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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