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Chemical ID: 4165236
Chemical ID:
4165236
Name [?]:
5-phenyloxazolidine-2,4-dione
SMILES [?]:
c1ccc(cc1)C2C(=O)NC(=O)O2
InChi [?]:
InChI=1/C9H7NO3/c11-8-7(13-9(12)10-8)6-4-2-1-3-5-6/h1-5,7H,(H,10,11,12)
InChi Info:
AuxInfo=1/1/N:1,2,6,3,5,4,7,8,11,10,9,12,13/E:(2,3)(4,5)/rA:13cCCCCCCCCONCOO/rB:s1;d2;s3;d4;d1s5;s4;s7;d8;s8;s10;d11;s7s11;/rC:;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C9H7NO3 |
All Atoms: | 13 |
Heavy Atoms: | 13 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 5.78476 |
Area: | 329.871 |
Solvation: | -2.46201 |
Coulombic: | -43.0228 |
Bond Count [?]
All: | 14 |
Single: | 9 |
Double: | 5 |
Rotors: | 1 |
Chiral: | 0 |
Rigid Segments: | 2 |
Chemical Properties
Molecular Weight: | 177.157 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 0.79 |
LogP (Chemaxon): | 1.27 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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