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Chemical ID: 4152881
Chemical ID:
4152881
Name [?]:
methyl 2-[4-oxo-3-(4-phenylphenoxy)-chromen-7-yl]oxyacetate
SMILES [?]:
COC(=O)COc1ccc2c(c1)occ(c2=O)Oc3ccc(cc3)c4ccccc4
InChi [?]:
InChI=1/C24H18O6/c1-27-23(25)15-28-19-11-12-20-21(13-19)29-14-22(24(20)26)30-18-9-7-17(8-10-18)16-5-3-2-4-6-16/h2-14H,15H2,1H3
InChi Info:
AuxInfo=1/0/N:1,28,27,29,26,30,21,23,20,24,8,9,12,14,5,25,22,19,7,10,11,15,3,16,4,17,2,6,13,18/E:(3,4)(5,6)(7,8)(9,10)/rA:30nCOCOCOCCCCCCOCCCOOCCCCCCCCCCCC/rB:s1;s2;d3;s3;s5;s6;s7;d8;s9;d10;d7s11;s11;s13;d14;s10s15;d16;s15;s18;s19;d20;s21;d22;d19s23;s22;s25;d26;s27;d28;d25s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C24H18O6 |
All Atoms: | 30 |
Heavy Atoms: | 30 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.85631 |
Area: | 630.305 |
Solvation: | -5.90132 |
Coulombic: | -52.2621 |
Bond Count [?]
All: | 33 |
Single: | 21 |
Double: | 12 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 402.396 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 5 |
XLogP: | 5.04 |
LogP (Chemaxon): | 4.6 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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