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Chemical ID: 5656581
Chemical ID:
5656581
Name [?]:
(7-methyl-2-oxo-chromen-4-yl)methyl 4-(hydroxymethyl)benzoate
SMILES [?]:
Cc1ccc2c(cc(=O)oc2c1)COC(=O)c3ccc(cc3)CO
InChi [?]:
InChI=1/C19H16O5/c1-12-2-7-16-15(9-18(21)24-17(16)8-12)11-23-19(22)14-5-3-13(10-20)4-6-14/h2-9,20H,10-11H2,1H3
InChi Info:
AuxInfo=1/0/N:1,3,19,21,18,22,4,12,7,23,13,2,20,17,6,5,11,8,15,24,9,16,14,10/E:(3,4)(5,6)/rA:24nCCCCCCCCOOCCCOCOCCCCCCCO/rB:s1;s2;d3;s4;s5;d6;s7;d8;s8;d5s10;d2s11;s6;s13;s14;d15;s15;s17;d18;s19;d20;d17s21;s20;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H16O5 |
All Atoms: | 24 |
Heavy Atoms: | 24 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.19578 |
Area: | 538.809 |
Solvation: | -4.27444 |
Coulombic: | -56.5572 |
Bond Count [?]
All: | 26 |
Single: | 17 |
Double: | 9 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 324.327 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 2.96 |
LogP (Chemaxon): | 3.37 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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