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Chemical ID: 6717046
Chemical ID:
6717046
Name [?]:
5-methyl-4-[(3,4,8-trimethyl-2-oxo-chromen-7-yl)oxymethyl]furan-2-carboxylate
SMILES [?]:
Cc1c(c(=O)oc2c1ccc(c2C)OCc3cc(oc3C)C(=O)[O-])C
InChi [?]:
InChI=1/C19H18O6/c1-9-10(2)19(22)25-17-11(3)15(6-5-14(9)17)23-8-13-7-16(18(20)21)24-12(13)4/h5-7H,8H2,1-4H3,(H,20,21)/p-1
InChi Info:
AuxInfo=1/1/N:1,25,13,21,9,10,17,15,2,3,12,20,16,8,11,18,7,22,4,23,24,5,14,19,6/E:(20,21)/rA:25nCCCCOOCCCCCCCOCCCCOCCCOO-C/rB:s1;d2;s3;d4;s4;s6;s2s7;d8;s9;d10;d7s11;s12;s11;s14;s15;s16;d17;s18;d16s19;s20;s18;d22;s22;s3;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H17O6- |
All Atoms: | 25 |
Heavy Atoms: | 25 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | -34.7444 |
Area: | 547.801 |
Solvation: | -48.4394 |
Coulombic: | -32.7028 |
Bond Count [?]
All: | 27 |
Single: | 19 |
Double: | 8 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 341.335 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 4 |
XLogP: | 2.11 |
LogP (Chemaxon): | 3.52 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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