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Chemical ID: 6874760
Chemical ID:
6874760
Name [?]:
methyl 2-[2-(2-chlorophenyl)-6-methyl-4-oxo-chromen-3-yl]oxyacetate
SMILES [?]:
Cc1ccc2c(c1)c(=O)c(c(o2)c3ccccc3Cl)OCC(=O)OC
InChi [?]:
InChI=1/C19H15ClO5/c1-11-7-8-15-13(9-11)17(22)19(24-10-16(21)23-2)18(25-15)12-5-3-4-6-14(12)20/h3-9H,10H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,25,15,16,14,17,3,4,7,21,2,13,6,18,5,22,8,11,10,19,23,9,24,20,12/rA:25nCCCCCCCCOCCOCCCCCCClOCCOOC/rB:s1;s2;d3;s4;d5;d2s6;s6;d8;s8;d10;s5s11;s11;s13;d14;s15;d16;d13s17;s18;s10;s20;s21;d22;s22;s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H15ClO5 |
All Atoms: | 40 |
Heavy Atoms: | 25 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.41905 |
Area: | 541.648 |
Solvation: | -4.12216 |
Coulombic: | -46.1641 |
Bond Count [?]
All: | 27 |
Single: | 18 |
Double: | 9 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 358.772 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 4 |
XLogP: | 4.63 |
LogP (Chemaxon): | 3.93 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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