Chemical ID: 3999215

CCOC(=O)CN1c2ccccc2C(=O)C1=O
Chemical ID:
3999215
Name [?]:
ethyl 2-(2,3-dioxoindolin-1-yl)acetate
SMILES [?]:
CCOC(=O)CN1c2ccccc2C(=O)C1=O
InChi [?]:
InChI=1/C12H11NO4/c1-2-17-10(14)7-13-9-6-4-3-5-8(9)11(15)12(13)16/h3-6H,2,7H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,11,10,12,9,6,13,8,4,14,16,7,5,15,17,3/rA:17nCCOCOCNCCCCCCCOCO/rB:s1;s2;s3;d4;s4;s6;s7;s8;d9;s10;d11;d8s12;s13;d14;s7s14;d16;/rC:;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C12H11NO4
All Atoms:17
Heavy Atoms:17
Chiral Atoms:0
ZAP Information [?]
Total:6.95929
Area:413.403
Solvation:-3.37578
Coulombic:-45.7736
Bond Count [?]
All:18
Single:12
Double:6
Rotors:4
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:233.22
H-Bond Donors:0
H-Bond Acceptors:5
XLogP:0.85
LogP (Chemaxon):0.8

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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