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Chemical ID: 4154085
Chemical ID:
4154085
Name [?]:
2-ethoxyethyl 2-[3-(2,5-dimethylphenoxy)-4-oxo-chromen-7-yl]oxypropanoate
SMILES [?]:
CCOCCOC(=O)C(C)Oc1ccc2c(c1)occ(c2=O)Oc3cc(ccc3C)C
InChi [?]:
InChI=1/C24H26O7/c1-5-27-10-11-28-24(26)17(4)30-18-8-9-19-21(13-18)29-14-22(23(19)25)31-20-12-15(2)6-7-16(20)3/h6-9,12-14,17H,5,10-11H2,1-4H3
InChi Info:
AuxInfo=1/0/N:1,31,30,10,2,27,28,13,14,4,5,25,17,19,26,29,9,12,15,24,16,20,21,7,22,8,3,6,18,11,23/rA:31cCCOCCOCOCCOCCCCCCOCCCOOCCCCCCCC/rB:s1;s2;s3;s4;s5;s6;d7;s7;s9;s9;s11;s12;d13;s14;d15;d12s16;s16;s18;d19;s15s20;d21;s20;s23;s24;d25;s26;d27;d24s28;s29;s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C24H26O7 |
All Atoms: | 31 |
Heavy Atoms: | 31 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 10.3614 |
Area: | 684.644 |
Solvation: | -6.75474 |
Coulombic: | -59.4769 |
Bond Count [?]
All: | 33 |
Single: | 24 |
Double: | 9 |
Rotors: | 10 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 426.459 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 6 |
XLogP: | 4.53 |
LogP (Chemaxon): | 4.57 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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