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Chemical ID: 4993341
Chemical ID:
4993341
Name [?]:
ethyl 2-(3-aminophenoxy)acetate
SMILES [?]:
CCOC(=O)COc1cccc(c1)N
InChi [?]:
InChI=1/C10H13NO3/c1-2-13-10(12)7-14-9-5-3-4-8(11)6-9/h3-6H,2,7,11H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,10,11,9,13,6,12,8,4,14,5,3,7/rA:14nCCOCOCOCCCCCCN/rB:s1;s2;s3;d4;s4;s6;s7;s8;d9;s10;d11;d8s12;s12;/rC:;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C10H13NO3 |
All Atoms: | 14 |
Heavy Atoms: | 14 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 6.28116 |
Area: | 387.956 |
Solvation: | -3.41774 |
Coulombic: | -43.0246 |
Bond Count [?]
All: | 14 |
Single: | 10 |
Double: | 4 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 195.215 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 4 |
XLogP: | 1.25 |
LogP (Chemaxon): | 0.93 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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