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Chemical ID: 4934237
Chemical ID:
4934237
Name [?]:
None
SMILES [?]:
CC1(CC(C2=C(O1)C(=O)c3c(cccc3OC)C2=O)O)C
InChi [?]:
InChI=1/C16H16O5/c1-16(2)7-9(17)12-13(18)8-5-4-6-10(20-3)11(8)14(19)15(12)21-16/h4-6,9,17H,7H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,21,17,13,12,14,3,11,4,15,10,5,18,8,6,2,20,19,9,16,7/E:(1,2)/rA:21cCCCCCCOCOCCCCCCOCCOOC/rB:s1;s2;s3;s4;d5;s2s6;s6;d8;s8;s10;d11;s12;d13;d10s14;s15;s16;s5s11;d18;s4;s2;/rC:;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H16O5 |
All Atoms: | 21 |
Heavy Atoms: | 21 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 5.04627 |
Area: | 439.8 |
Solvation: | -5.94874 |
Coulombic: | -46.6035 |
Bond Count [?]
All: | 23 |
Single: | 17 |
Double: | 6 |
Rotors: | 1 |
Chiral: | 0 |
Rigid Segments: | 2 |
Chemical Properties
Molecular Weight: | 288.295 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 5 |
XLogP: | 1.83 |
LogP (Chemaxon): | 0.76 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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