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Chemical ID: 4109301
Chemical ID:
4109301
Name [?]:
(4-acetyl-2-methoxy-phenyl) 4-methylbenzoate
SMILES [?]:
Cc1ccc(cc1)C(=O)Oc2ccc(cc2OC)C(=O)C
InChi [?]:
InChI=1/C17H16O4/c1-11-4-6-13(7-5-11)17(19)21-15-9-8-14(12(2)18)10-16(15)20-3/h4-10H,1-3H3
InChi Info:
AuxInfo=1/0/N:1,21,18,3,7,4,6,13,12,15,2,19,5,14,11,16,8,20,9,17,10/E:(4,5)(6,7)/rA:21nCCCCCCCCOOCCCCCCOCCOC/rB:s1;s2;d3;s4;d5;d2s6;s5;d8;s8;s10;s11;d12;s13;d14;d11s15;s16;s17;s14;d19;s19;/rC:;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H16O4 |
All Atoms: | 21 |
Heavy Atoms: | 21 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.53955 |
Area: | 489.2 |
Solvation: | -3.69046 |
Coulombic: | -36.045 |
Bond Count [?]
All: | 22 |
Single: | 14 |
Double: | 8 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 284.307 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 4 |
XLogP: | 3.45 |
LogP (Chemaxon): | 2.8 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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