Chemical ID: 6504062

Cc1ccc(c(c1)O)C(=O)CCC(=O)O
Chemical ID:
6504062
Name [?]:
4-(2-hydroxy-4-methyl-phenyl)-4-oxo-butanoic acid
SMILES [?]:
Cc1ccc(c(c1)O)C(=O)CCC(=O)O
InChi [?]:
InChI=1/C11H12O4/c1-7-2-3-8(10(13)6-7)9(12)4-5-11(14)15/h2-3,6,13H,4-5H2,1H3,(H,14,15)
InChi Info:
AuxInfo=1/1/N:1,3,4,11,12,7,2,5,9,6,13,10,8,14,15/E:(14,15)/rA:15nCCCCCCCOCOCCCOO/rB:s1;s2;d3;s4;d5;d2s6;s6;s5;d9;s9;s11;s12;d13;s13;/rC:;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C11H12O4
All Atoms:15
Heavy Atoms:15
Chiral Atoms:0
ZAP Information [?]
Total:5.80795
Area:388.46
Solvation:-3.90355
Coulombic:-48.3204
Bond Count [?]
All:15
Single:10
Double:5
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:208.211
H-Bond Donors:2
H-Bond Acceptors:4
XLogP:1.69
LogP (Chemaxon):1.98

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Descriptor Annotations

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