Chemical ID: 5656581

Cc1ccc2c(cc(=O)oc2c1)COC(=O)c3ccc(cc3)CO
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

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Descriptor Annotations

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