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Chemical ID: 7599748
Chemical ID:
7599748
Name [?]:
None
SMILES [?]:
CC=C(C)C(=O)OC(C)(C)C1Cc2c(ccc3c2oc(=O)cc3)O1
InChi [?]:
InChI=1/C19H20O5/c1-5-11(2)18(21)24-19(3,4)15-10-13-14(22-15)8-6-12-7-9-16(20)23-17(12)13/h5-9,15H,10H2,1-4H3
InChi Info:
AuxInfo=1/0/N:1,4,9,10,2,16,23,15,22,12,3,17,13,14,11,20,18,5,8,21,6,24,19,7/E:(3,4)/rA:24cCCCCCOOCCCCCCCCCCCOCOCCO/rB:s1;w2;s3;s3;d5;s5;s7;s8;s8;s8;s11;s12;s13;d14;s15;d16;d13s17;s18;s19;d20;s20;s17d22;s11s14;/rC:;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H20O5 |
All Atoms: | 44 |
Heavy Atoms: | 24 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 9.92937 |
Area: | 529.434 |
Solvation: | -3.30649 |
Coulombic: | -47.8311 |
Bond Count [?]
All: | 26 |
Single: | 19 |
Double: | 7 |
Rotors: | 4 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 3.44 |
LogP (Chemaxon): | None |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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