Chemical ID: 4595051

COC(=O)CC1=NC(=O)CS1
Chemical ID:
4595051
Name [?]:
methyl 2-(4-oxothiazol-2-yl)acetate
SMILES [?]:
COC(=O)CC1=NC(=O)CS1
InChi [?]:
InChI=1/C6H7NO3S/c1-10-6(9)2-5-7-4(8)3-11-5/h2-3H2,1H3
InChi Info:
AuxInfo=1/0/N:1,5,10,8,6,3,7,9,4,2,11/rA:11nCOCOCCNCOCS/rB:s1;s2;d3;s3;s5;d6;s7;d8;s8;s6s10;/rC:;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C6H7NO3S
All Atoms:11
Heavy Atoms:11
Chiral Atoms:0
ZAP Information [?]
Total:4.5817
Area:328.665
Solvation:-3.63494
Coulombic:-30.2835
Bond Count [?]
All:11
Single:8
Double:3
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:173.191
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:-0.62
LogP (Chemaxon):-0.22

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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