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Chemical ID: 5574630
Chemical ID:
5574630
Name [?]:
ethyl (2,4-dimethylphenyl)aminoformate
SMILES [?]:
CCOC(=O)Nc1ccc(cc1C)C
InChi [?]:
InChI=1/C11H15NO2/c1-4-14-11(13)12-10-6-5-8(2)7-9(10)3/h5-7H,4H2,1-3H3,(H,12,13)
InChi Info:
AuxInfo=1/1/N:1,14,13,2,9,8,11,10,12,7,4,6,5,3/rA:14nCCOCONCCCCCCCC/rB:s1;s2;s3;d4;s4;s6;s7;d8;s9;d10;d7s11;s12;s10;/rC:;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C11H15NO2 |
All Atoms: | 14 |
Heavy Atoms: | 14 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.1028 |
Area: | 382.696 |
Solvation: | -1.4646 |
Coulombic: | -34.0251 |
Bond Count [?]
All: | 14 |
Single: | 10 |
Double: | 4 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 193.242 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 2.53 |
LogP (Chemaxon): | 3.27 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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