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Chemical ID: 6667223
Chemical ID:
6667223
Name [?]:
allyl (2,6-dimethylphenyl)aminoformate
SMILES [?]:
Cc1cccc(c1NC(=O)OCC=C)C
InChi [?]:
InChI=1/C12H15NO2/c1-4-8-15-12(14)13-11-9(2)6-5-7-10(11)3/h4-7H,1,8H2,2-3H3,(H,13,14)
InChi Info:
AuxInfo=1/1/N:14,1,15,13,4,3,5,12,2,6,7,9,8,10,11/E:(2,3)(6,7)(9,10)/rA:15nCCCCCCCNCOOCCCC/rB:s1;s2;d3;s4;d5;d2s6;s7;s8;d9;s9;s11;s12;d13;s6;/rC:;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C12H15NO2 |
All Atoms: | 15 |
Heavy Atoms: | 15 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.35241 |
Area: | 399.261 |
Solvation: | -1.62912 |
Coulombic: | -35.6954 |
Bond Count [?]
All: | 15 |
Single: | 10 |
Double: | 5 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 205.253 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 2.51 |
LogP (Chemaxon): | 3.67 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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