Chemical ID: 4177588

CC(CON1C(=O)c2ccccc2C1=O)O
Chemical ID:
4177588
Name [?]:
2-(2-hydroxypropoxy)isoindoline-1,3-dione
SMILES [?]:
CC(CON1C(=O)c2ccccc2C1=O)O
InChi [?]:
InChI=1/C11H11NO4/c1-7(13)6-16-12-10(14)8-4-2-3-5-9(8)11(12)15/h2-5,7,13H,6H2,1H3
InChi Info:
AuxInfo=1/0/N:1,10,11,9,12,3,2,8,13,6,14,5,16,7,15,4/E:(2,3)(4,5)(8,9)(10,11)(14,15)/rA:16cCCCONCOCCCCCCCOO/rB:s1;s2;s3;s4;s5;d6;s6;s8;d9;s10;d11;d8s12;s5s13;d14;s2;/rC:;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C11H11NO4
All Atoms:16
Heavy Atoms:16
Chiral Atoms:1
ZAP Information [?]
Total:4.90751
Area:391.122
Solvation:-4.87053
Coulombic:-42.3932
Bond Count [?]
All:17
Single:12
Double:5
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:221.209
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:0.79
LogP (Chemaxon):0.87

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Descriptor Annotations

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