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Chemical ID: 5246173
Chemical ID:
5246173
Name [?]:
None
SMILES [?]:
CC1(C=Cc2cc3ccc(=O)oc3c(c2O1)OC)C
InChi [?]:
InChI=1/C15H14O4/c1-15(2)7-6-10-8-9-4-5-11(16)18-12(9)14(17-3)13(10)19-15/h4-8H,1-3H3
InChi Info:
AuxInfo=1/0/N:1,19,18,8,9,4,3,6,7,5,10,13,15,14,2,11,17,12,16/E:(1,2)/rA:19nCCCCCCCCCCOOCCCOOCC/rB:s1;s2;d3;s4;s5;d6;s7;d8;s9;d10;s10;s7s12;d13;d5s14;s2s15;s14;s17;s2;/rC:;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H14O4 |
All Atoms: | 19 |
Heavy Atoms: | 19 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 5.4689 |
Area: | 413.464 |
Solvation: | -4.8677 |
Coulombic: | -34.3104 |
Bond Count [?]
All: | 21 |
Single: | 15 |
Double: | 6 |
Rotors: | 1 |
Chiral: | 0 |
Rigid Segments: | 2 |
Chemical Properties
Molecular Weight: | 258.269 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 3 |
XLogP: | 2.53 |
LogP (Chemaxon): | 2.36 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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