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Chemical ID: 7655469
Chemical ID:
7655469
Name [?]:
None
SMILES [?]:
CC(C)(C)OC(=O)NCc1ccc(cc1)C=O
InChi [?]:
InChI=1/C13H17NO3/c1-13(2,3)17-12(16)14-8-10-4-6-11(9-15)7-5-10/h4-7,9H,8H2,1-3H3,(H,14,16)
InChi Info:
AuxInfo=1/1/N:1,3,4,11,15,12,14,9,16,10,13,6,2,8,17,7,5/E:(1,2,3)(4,5)(6,7)/rA:17nCCCCOCONCCCCCCCCO/rB:s1;s2;s2;s2;s5;d6;s6;s8;s9;s10;d11;s12;d13;d10s14;s13;d16;/rC:;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C13H17NO3 |
All Atoms: | 34 |
Heavy Atoms: | 17 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 8.17532 |
Area: | 442.504 |
Solvation: | -2.88729 |
Coulombic: | -41.8693 |
Bond Count [?]
All: | 17 |
Single: | 12 |
Double: | 5 |
Rotors: | 6 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 2.59 |
LogP (Chemaxon): | None |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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