Chemical ID: 4760067

COC(=O)c1ccccc1c2c3ccc(cc3oc-4cc(=O)ccc24)O
Chemical ID:
4760067
Name [?]:
methyl 2-(6-hydroxy-3-oxo-xanthen-9-yl)benzoate
SMILES [?]:
COC(=O)c1ccccc1c2c3ccc(cc3oc-4cc(=O)ccc24)O
InChi [?]:
InChI=1/C21H14O5/c1-25-21(24)15-5-3-2-4-14(15)20-16-8-6-12(22)10-18(16)26-19-11-13(23)7-9-17(19)20/h2-11,22H,1H3
InChi Info:
AuxInfo=1/0/N:1,8,7,9,6,14,23,13,24,16,20,15,21,10,5,12,25,17,19,11,3,26,22,4,2,18/rA:26nCOCOCCCCCCCCCCCCCOCCCOCCCO/rB:s1;s2;d3;s3;s5;d6;s7;d8;d5s9;s10;s11;s12;d13;s14;d15;d12s16;s17;s18;d19;s20;d21;s21;d23;d11s19s24;s15;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C21H14O5
All Atoms:26
Heavy Atoms:26
Chiral Atoms:0
ZAP Information [?]
Total:8.72547
Area:519.955
Solvation:-4.2734
Coulombic:-52.5246
Bond Count [?]
All:29
Single:18
Double:11
Rotors:3
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:346.333
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:3.46
LogP (Chemaxon):4.51

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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