Chemical ID: 4570077

CC(C(=O)OC)Oc1ccc2c(c1)occ(c2=O)c3ccccc3
Chemical ID:
4570077
Name [?]:
methyl 2-(4-oxo-3-phenyl-chromen-7-yl)oxypropanoate
SMILES [?]:
CC(C(=O)OC)Oc1ccc2c(c1)occ(c2=O)c3ccccc3
InChi [?]:
InChI=1/C19H16O5/c1-12(19(21)22-2)24-14-8-9-15-17(10-14)23-11-16(18(15)20)13-6-4-3-5-7-13/h3-12H,1-2H3
InChi Info:
AuxInfo=1/0/N:1,6,22,21,23,20,24,9,10,13,15,2,19,8,11,16,12,17,3,18,4,5,14,7/E:(4,5)(6,7)/rA:24cCCCOOCOCCCCCCOCCCOCCCCCC/rB:s1;s2;d3;s3;s5;s2;s7;s8;d9;s10;d11;d8s12;s12;s14;d15;s11s16;d17;s16;s19;d20;s21;d22;d19s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H16O5
All Atoms:24
Heavy Atoms:24
Chiral Atoms:1
ZAP Information [?]
Total:8.82905
Area:532.672
Solvation:-4.48775
Coulombic:-44.3019
Bond Count [?]
All:26
Single:17
Double:9
Rotors:5
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:324.327
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:3.68
LogP (Chemaxon):3.71

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Descriptor Annotations

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