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Chemical ID: 6689959
Chemical ID:
6689959
Name [?]:
(2,4-dihydroxy-5-tert-butyl-phenyl)-phenyl-methanone
SMILES [?]:
CC(C)(C)c1cc(c(cc1O)O)C(=O)c2ccccc2
InChi [?]:
InChI=1/C17H18O3/c1-17(2,3)13-9-12(14(18)10-15(13)19)16(20)11-7-5-4-6-8-11/h4-10,18-19H,1-3H3
InChi Info:
AuxInfo=1/0/N:1,3,4,18,17,19,16,20,6,9,15,7,5,8,10,13,2,12,11,14/E:(1,2,3)(5,6)(7,8)/rA:20nCCCCCCCCCCOOCOCCCCCC/rB:s1;s2;s2;s2;s5;d6;s7;d8;d5s9;s10;s8;s7;d13;s13;s15;d16;s17;d18;d15s19;/rC:;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H18O3 |
All Atoms: | 20 |
Heavy Atoms: | 20 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.51519 |
Area: | 458.478 |
Solvation: | -2.94675 |
Coulombic: | -43.2031 |
Bond Count [?]
All: | 21 |
Single: | 14 |
Double: | 7 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 270.323 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 3 |
XLogP: | 4.8 |
LogP (Chemaxon): | 4.98 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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