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Chemical ID: 5713153
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 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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