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Chemical ID: 6047824
Chemical ID:
6047824
Name [?]:
5-(hydroxymethyl)-3-(4-methoxyphenyl)-oxazolidin-2-one
SMILES [?]:
COc1ccc(cc1)N2CC(OC2=O)CO
InChi [?]:
InChI=1/C11H13NO4/c1-15-9-4-2-8(3-5-9)12-6-10(7-13)16-11(12)14/h2-5,10,13H,6-7H2,1H3
InChi Info:
AuxInfo=1/0/N:1,5,7,4,8,10,15,6,3,11,13,9,16,14,2,12/E:(2,3)(4,5)/rA:16cCOCCCCCCNCCOCOCO/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;s9;s10;s11;s9s12;d13;s11;s15;/rC:;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C11H13NO4 |
All Atoms: | 16 |
Heavy Atoms: | 16 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 4.63247 |
Area: | 395.328 |
Solvation: | -5.25073 |
Coulombic: | -51.3965 |
Bond Count [?]
All: | 17 |
Single: | 13 |
Double: | 4 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 223.225 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 5 |
XLogP: | 0.62 |
LogP (Chemaxon): | 0.96 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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