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Chemical ID: 7477712
Chemical ID:
7477712
Name [?]:
2-(3,4-dimethylphenoxy)acetamide
SMILES [?]:
Cc1ccc(cc1C)OCC(=O)N
InChi [?]:
InChI=1/C10H13NO2/c1-7-3-4-9(5-8(7)2)13-6-10(11)12/h3-5H,6H2,1-2H3,(H2,11,12)
InChi Info:
AuxInfo=1/1/N:1,8,3,4,6,10,2,7,5,11,13,12,9/rA:13nCCCCCCCCOCCON/rB:s1;s2;d3;s4;d5;d2s6;s7;s5;s9;s10;d11;s11;/rC:;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C10H13NO2 |
All Atoms: | 26 |
Heavy Atoms: | 13 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 5.26476 |
Area: | 359.045 |
Solvation: | -3.71137 |
Coulombic: | -32.4566 |
Bond Count [?]
All: | 13 |
Single: | 9 |
Double: | 4 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 179.216 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 3 |
XLogP: | 1.47 |
LogP (Chemaxon): | 1.41 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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