Chemical ID: 5713153

Cc1ccc2c(cc(=O)oc2c1)COC(=O)C=Cc3ccccc3
Chemical ID:
5713153
Name [?]:
(7-methyl-2-oxo-chromen-4-yl)methyl 3-phenylprop-2-enoate
SMILES [?]:
Cc1ccc2c(cc(=O)oc2c1)COC(=O)C=Cc3ccccc3
InChi [?]:
InChI=1/C20H16O4/c1-14-7-9-17-16(12-20(22)24-18(17)11-14)13-23-19(21)10-8-15-5-3-2-4-6-15/h2-12H,13H2,1H3
InChi Info:
AuxInfo=1/0/N:1,22,21,23,20,24,3,18,4,17,12,7,13,2,19,6,5,11,15,8,16,9,14,10/E:(3,4)(5,6)/rA:24nCCCCCCCCOOCCCOCOCCCCCCCC/rB:s1;s2;d3;s4;s5;d6;s7;d8;s8;d5s10;d2s11;s6;s13;s14;d15;s15;w17;s18;s19;d20;s21;d22;d19s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C20H16O4
All Atoms:24
Heavy Atoms:24
Chiral Atoms:0
ZAP Information [?]
Total:10.0139
Area:527.579
Solvation:-3.17557
Coulombic:-40.3289
Bond Count [?]
All:26
Single:16
Double:10
Rotors:5
Chiral:1
Rigid Segments:5
Chemical Properties
Molecular Weight:320.339
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:4.05
LogP (Chemaxon):4.5

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Experimental Annotations

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Descriptor Annotations

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