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Chemical ID: 4905202
Chemical ID:
4905202
Name [?]:
None
SMILES [?]:
CC1CC2C3C(C4(C1C=CC4=O)C)OC(C3(C(=O)O2)C)(C)O
InChi [?]:
InChI=1/C17H22O5/c1-8-7-10-12-13(15(2)9(8)5-6-11(15)18)22-17(4,20)16(12,3)14(19)21-10/h5-6,8-10,12-13,20H,7H2,1-4H3
InChi Info:
AuxInfo=1/0/N:1,13,20,21,9,10,3,2,8,4,11,5,6,17,7,16,15,12,18,22,19,14/rA:22cCCCCCCCCCCCOCOCCCOOCCO/rB:s1;s2;s3;s4;s5;s6;s2s7;s8;d9;s7s10;d11;s7;s6;s14;s5s15;s16;d17;s4s17;s16;s15;s15;/rC:;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H22O5 |
All Atoms: | 22 |
Heavy Atoms: | 22 |
Chiral Atoms: | 8 |
ZAP Information [?]
Total: | 5.7198 |
Area: | 430.441 |
Solvation: | -5.04123 |
Coulombic: | -51.4525 |
Bond Count [?]
All: | 25 |
Single: | 22 |
Double: | 3 |
Rotors: | 0 |
Chiral: | 0 |
Rigid Segments: | 1 |
Chemical Properties
Molecular Weight: | 306.354 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 5 |
XLogP: | 0.67 |
LogP (Chemaxon): | 3.01 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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