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Chemical ID: 5672633
Chemical ID:
5672633
Name [?]:
(6-isopropyl-7-methyl-2-oxo-chromen-4-yl)methyl 2-phenoxyacetate
SMILES [?]:
Cc1cc2c(cc1C(C)C)c(cc(=O)o2)COC(=O)COc3ccccc3
InChi [?]:
InChI=1/C22H22O5/c1-14(2)18-11-19-16(10-21(23)27-20(19)9-15(18)3)12-26-22(24)13-25-17-7-5-4-6-8-17/h4-11,14H,12-13H2,1-3H3
InChi Info:
AuxInfo=1/0/N:9,10,1,25,24,26,23,27,3,12,6,16,20,8,2,11,22,7,5,4,13,18,14,19,21,17,15/E:(1,2)(5,6)(7,8)/rA:27nCCCCCCCCCCCCCOOCOCOCOCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s7;s8;s8;s5;d11;s12;d13;s4s13;s11;s16;s17;d18;s18;s20;s21;s22;d23;s24;d25;d22s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C22H22O5 |
All Atoms: | 27 |
Heavy Atoms: | 27 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.5606 |
Area: | 607.02 |
Solvation: | -4.61488 |
Coulombic: | -47.1235 |
Bond Count [?]
All: | 29 |
Single: | 20 |
Double: | 9 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 366.407 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 4 |
XLogP: | 4.86 |
LogP (Chemaxon): | 4.87 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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