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Chemical ID: 4886402
Chemical ID:
4886402
Name [?]:
5-[(4-methoxyphenoxy)methyl]oxazolidin-2-one
SMILES [?]:
COc1ccc(cc1)OCC2CNC(=O)O2
InChi [?]:
InChI=1/C11H13NO4/c1-14-8-2-4-9(5-3-8)15-7-10-6-12-11(13)16-10/h2-5,10H,6-7H2,1H3,(H,12,13)
InChi Info:
AuxInfo=1/1/N:1,4,8,5,7,12,10,3,6,11,14,13,15,2,9,16/E:(2,3)(4,5)/rA:16cCOCCCCCCOCCCNCOO/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;s9;s10;s11;s12;s13;d14;s11s14;/rC:;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C11H13NO4 |
All Atoms: | 16 |
Heavy Atoms: | 16 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 4.62189 |
Area: | 405.037 |
Solvation: | -5.50403 |
Coulombic: | -46.4766 |
Bond Count [?]
All: | 17 |
Single: | 13 |
Double: | 4 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 223.225 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 5 |
XLogP: | 1.35 |
LogP (Chemaxon): | 1.1 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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