Chemical ID: 4556743

CCCc1cc2c(cc1OC(=O)C)occ(c2=O)c3ccccc3
Chemical ID:
4556743
Name [?]:
(4-oxo-3-phenyl-6-propyl-chromen-7-yl) acetate
SMILES [?]:
CCCc1cc2c(cc1OC(=O)C)occ(c2=O)c3ccccc3
InChi [?]:
InChI=1/C20H18O4/c1-3-7-15-10-16-19(11-18(15)24-13(2)21)23-12-17(20(16)22)14-8-5-4-6-9-14/h4-6,8-12H,3,7H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,13,2,22,21,23,3,20,24,5,8,15,11,19,4,6,16,9,7,17,12,18,14,10/E:(5,6)(8,9)/rA:24nCCCCCCCCCOCOCOCCCOCCCCCC/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s9;s10;d11;s11;s7;s14;d15;s6s16;d17;s16;s19;d20;s21;d22;d19s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C20H18O4
All Atoms:24
Heavy Atoms:24
Chiral Atoms:0
ZAP Information [?]
Total:10.1722
Area:532.804
Solvation:-3.14791
Coulombic:-34.9806
Bond Count [?]
All:26
Single:17
Double:9
Rotors:5
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:322.355
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:4.58
LogP (Chemaxon):4.61

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Descriptor Annotations

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