Chemical ID: 6891487

CCC(=O)Oc1c(=O)c2ccccc2oc1c3ccc(cc3)C
Chemical ID:
6891487
Name [?]:
[4-oxo-2-(p-tolyl)chromen-3-yl] propanoate
SMILES [?]:
CCC(=O)Oc1c(=O)c2ccccc2oc1c3ccc(cc3)C
InChi [?]:
InChI=1/C19H16O4/c1-3-16(20)23-19-17(21)14-6-4-5-7-15(14)22-18(19)13-10-8-12(2)9-11-13/h4-11H,3H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,23,2,11,12,10,13,19,21,18,22,20,17,9,14,3,7,16,6,4,8,15,5/E:(8,9)(10,11)/rA:23nCCCOOCCOCCCCCCOCCCCCCCC/rB:s1;s2;d3;s3;s5;s6;d7;s7;s9;d10;s11;d12;d9s13;s14;d6s15;s16;s17;d18;s19;d20;d17s21;s20;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H16O4
All Atoms:39
Heavy Atoms:23
Chiral Atoms:0
ZAP Information [?]
Total:9.80825
Area:499.692
Solvation:-2.68405
Coulombic:-37.5038
Bond Count [?]
All:25
Single:16
Double:9
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:308.328
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:4.43
LogP (Chemaxon):4.21

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Descriptor Annotations

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