Chemical ID: 6882362

CCOC(=O)C(C)Oc1ccc2c(c1)occ(c2=O)c3ccccc3Cl
Chemical ID:
6882362
Name [?]:
ethyl 2-[3-(2-chlorophenyl)-4-oxo-chromen-7-yl]oxypropanoate
SMILES [?]:
CCOC(=O)C(C)Oc1ccc2c(c1)occ(c2=O)c3ccccc3Cl
InChi [?]:
InChI=1/C20H17ClO5/c1-3-24-20(23)12(2)26-13-8-9-15-18(10-13)25-11-16(19(15)22)14-6-4-5-7-17(14)21/h4-12H,3H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,7,2,22,23,21,24,10,11,14,16,6,9,20,12,17,25,13,18,4,26,19,5,3,15,8/rA:26cCCOCOCCOCCCCCCOCCCOCCCCCCCl/rB:s1;s2;s3;d4;s4;s6;s6;s8;s9;d10;s11;d12;d9s13;s13;s15;d16;s12s17;d18;s17;s20;d21;s22;d23;d20s24;s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C20H17ClO5
All Atoms:43
Heavy Atoms:26
Chiral Atoms:1
ZAP Information [?]
Total:10.0239
Area:580.653
Solvation:-4.49245
Coulombic:-44.5708
Bond Count [?]
All:28
Single:19
Double:9
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:372.799
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:4.73
LogP (Chemaxon):4.57

Name Annotations

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Descriptor Annotations

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