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Chemical ID: 6919360
Chemical ID:
6919360
Name [?]:
1-(4-hydroxy-3-methoxy-phenyl)dec-4-en-3-one
SMILES [?]:
CCCCCC=CC(=O)CCc1ccc(c(c1)OC)O
InChi [?]:
InChI=1/C17H24O3/c1-3-4-5-6-7-8-15(18)11-9-14-10-12-16(19)17(13-14)20-2/h7-8,10,12-13,19H,3-6,9,11H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,19,2,3,4,5,6,7,11,13,10,14,17,12,8,15,16,9,20,18/rA:20nCCCCCCCCOCCCCCCCCOCO/rB:s1;s2;s3;s4;s5;w6;s7;d8;s8;s10;s11;s12;d13;s14;d15;d12s16;s16;s18;s15;/rC:;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H24O3 |
All Atoms: | 44 |
Heavy Atoms: | 20 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.94531 |
Area: | 537.96 |
Solvation: | -4.50367 |
Coulombic: | -32.9589 |
Bond Count [?]
All: | 20 |
Single: | 15 |
Double: | 5 |
Rotors: | 9 |
Chiral: | 1 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 276.371 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 4.34 |
LogP (Chemaxon): | 4.77 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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