Chemical ID: 3966819

CC1CC(=O)C=C(C12C(=O)c3c(cc(c(c3O2)Cl)OC)OC)OC
Chemical ID:
3966819
Name [?]:
None
SMILES [?]:
CC1CC(=O)C=C(C12C(=O)c3c(cc(c(c3O2)Cl)OC)OC)OC
InChi [?]:
InChI=1/C17H17ClO6/c1-8-5-9(19)6-12(23-4)17(8)16(20)13-10(21-2)7-11(22-3)14(18)15(13)24-17/h6-8H,5H2,1-4H3
InChi Info:
AuxInfo=1/0/N:1,22,20,24,3,6,13,2,4,12,14,7,11,15,16,9,8,18,5,10,21,19,23,17/rA:24cCCCCOCCCCOCCCCCCOClOCOCOC/rB:s1;s2;s3;d4;s4;d6;s2s7;s8;d9;s9;s11;d12;s13;d14;d11s15;s8s16;s15;s14;s19;s12;s21;s7;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H17ClO6
All Atoms:24
Heavy Atoms:24
Chiral Atoms:2
ZAP Information [?]
Total:5.86926
Area:513.419
Solvation:-6.96622
Coulombic:-44.1941
Bond Count [?]
All:26
Single:20
Double:6
Rotors:3
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:352.766
H-Bond Donors:0
H-Bond Acceptors:6
XLogP:2.04
LogP (Chemaxon):1.08

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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