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Chemical ID: 6714168
Chemical ID:
6714168
Name [?]:
4-[(2-hydroxyphenyl)methylene]-3-methylene-isoxazolidin-5-one
SMILES [?]:
C=c1c(=Cc2ccccc2O)c(=O)o[nH]1
InChi [?]:
InChI=1/C11H9NO3/c1-7-9(11(14)15-12-7)6-8-4-2-3-5-10(8)13/h2-6,12-13H,1H2
InChi Info:
AuxInfo=1/0/N:1,7,8,6,9,4,2,5,3,10,12,15,11,13,14/rA:15nCCCCCCCCCCOCOON/rB:d1;s2;w3;s4;s5;d6;s7;d8;d5s9;s10;s3;d12;s12;s2s14;/rC:;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C11H9NO3 |
All Atoms: | 15 |
Heavy Atoms: | 15 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 6.17268 |
Area: | 360.406 |
Solvation: | -2.83748 |
Coulombic: | -39.9271 |
Bond Count [?]
All: | 16 |
Single: | 10 |
Double: | 6 |
Rotors: | 1 |
Chiral: | 1 |
Rigid Segments: | 2 |
Chemical Properties
Molecular Weight: | 203.194 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 2.12 |
LogP (Chemaxon): | 1.96 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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