Chemical ID: 6714168

C=c1c(=Cc2ccccc2O)c(=O)o[nH]1
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

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Descriptor Annotations

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