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Chemical ID: 4951275
Chemical ID:
4951275
Name [?]:
[4-(1-methyl-1-phenyl-ethyl)phenyl] acetate
SMILES [?]:
CC(=O)Oc1ccc(cc1)C(C)(C)c2ccccc2
InChi [?]:
InChI=1/C17H18O2/c1-13(18)19-16-11-9-15(10-12-16)17(2,3)14-7-5-4-6-8-14/h4-12H,1-3H3
InChi Info:
AuxInfo=1/0/N:1,12,13,17,16,18,15,19,7,9,6,10,2,14,8,5,11,3,4/E:(2,3)(5,6)(7,8)(9,10)(11,12)/rA:19nCCOOCCCCCCCCCCCCCCC/rB:s1;d2;s2;s4;s5;d6;s7;d8;d5s9;s8;s11;s11;s11;s14;d15;s16;d17;d14s18;/rC:;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H18O2 |
All Atoms: | 19 |
Heavy Atoms: | 19 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.31173 |
Area: | 453.877 |
Solvation: | -2.03519 |
Coulombic: | -20.6498 |
Bond Count [?]
All: | 20 |
Single: | 13 |
Double: | 7 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 254.324 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 2 |
XLogP: | 5.12 |
LogP (Chemaxon): | 4.67 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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