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Chemical ID: 6847349
Chemical ID:
6847349
Name [?]:
ethyl 2-[2-(3,4-dimethoxyphenyl)-5,7-dimethyl-4-oxo-chromen-3-yl]oxypropanoate
SMILES [?]:
CCOC(=O)C(C)Oc1c(=O)c2c(cc(cc2oc1c3ccc(c(c3)OC)OC)C)C
InChi [?]:
InChI=1/C24H26O7/c1-7-29-24(26)15(4)30-23-21(25)20-14(3)10-13(2)11-19(20)31-22(23)16-8-9-17(27-5)18(12-16)28-6/h8-12,15H,7H2,1-6H3
InChi Info:
AuxInfo=1/0/N:1,30,31,7,29,27,2,21,22,14,16,25,15,13,6,20,23,24,17,12,10,19,9,4,11,5,28,26,3,8,18/rA:31cCCOCOCCOCCOCCCCCCOCCCCCCCOCOCCC/rB:s1;s2;s3;d4;s4;s6;s6;s8;s9;d10;s10;s12;d13;s14;d15;d12s16;s17;d9s18;s19;s20;d21;s22;d23;d20s24;s24;s26;s23;s28;s15;s13;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C24H26O7 |
All Atoms: | 57 |
Heavy Atoms: | 31 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 8.87483 |
Area: | 631.417 |
Solvation: | -6.91059 |
Coulombic: | -59.649 |
Bond Count [?]
All: | 33 |
Single: | 24 |
Double: | 9 |
Rotors: | 8 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 426.459 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 6 |
XLogP: | 4.96 |
LogP (Chemaxon): | 4.25 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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