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Chemical ID: 4121460
Chemical ID:
4121460
Name [?]:
2-(4-formyl-2-methoxy-phenoxy)-N-(o-tolyl)acetamide
SMILES [?]:
Cc1ccccc1NC(=O)COc2ccc(cc2OC)C=O
InChi [?]:
InChI=1/C17H17NO4/c1-12-5-3-4-6-14(12)18-17(20)11-22-15-8-7-13(10-19)9-16(15)21-2/h3-10H,11H2,1-2H3,(H,18,20)
InChi Info:
AuxInfo=1/1/N:1,20,4,5,3,6,15,14,17,21,11,2,16,7,13,18,9,8,22,10,19,12/rA:22nCCCCCCCNCOCOCCCCCCOCCO/rB:s1;s2;d3;s4;d5;d2s6;s7;s8;d9;s9;s11;s12;s13;d14;s15;d16;d13s17;s18;s19;s16;d21;/rC:;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H17NO4 |
All Atoms: | 22 |
Heavy Atoms: | 22 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 5.03234 |
Area: | 514.401 |
Solvation: | -7.82769 |
Coulombic: | -40.8382 |
Bond Count [?]
All: | 23 |
Single: | 15 |
Double: | 8 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 299.321 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 5 |
XLogP: | 2.24 |
LogP (Chemaxon): | 2.12 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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