Chemical ID: 5497320

CC(C)(C)C(=O)COC(=O)C1c2ccccc2Oc3c1cccc3
Chemical ID:
5497320
Name [?]:
(3,3-dimethyl-2-oxo-butyl) 9H-xanthene-9-carboxylate
SMILES [?]:
CC(C)(C)C(=O)COC(=O)C1c2ccccc2Oc3c1cccc3
InChi [?]:
InChI=1/C20H20O4/c1-20(2,3)17(21)12-23-19(22)18-13-8-4-6-10-15(13)24-16-11-7-5-9-14(16)18/h4-11,18H,12H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,3,4,14,22,15,23,13,21,16,24,7,12,20,17,19,5,11,9,2,6,10,8,18/E:(1,2,3)(4,5)(6,7)(8,9)(10,11)(13,14)(15,16)/rA:24cCCCCCOCOCOCCCCCCCOCCCCCC/rB:s1;s2;s2;s2;d5;s5;s7;s8;d9;s9;s11;s12;d13;s14;d15;d12s16;s17;s18;s11s19;d20;s21;d22;d19s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C20H20O4
All Atoms:24
Heavy Atoms:24
Chiral Atoms:0
ZAP Information [?]
Total:9.24014
Area:512.777
Solvation:-3.57927
Coulombic:-36.1553
Bond Count [?]
All:26
Single:18
Double:8
Rotors:5
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:324.37
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:3.29
LogP (Chemaxon):4.82

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Descriptor Annotations

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