Chemical ID: 5069417

CCOC(=O)CC(=O)c1cccs1
Chemical ID:
5069417
Name [?]:
ethyl 3-oxo-3-(2-thienyl)propanoate
SMILES [?]:
CCOC(=O)CC(=O)c1cccs1
InChi [?]:
InChI=1/C9H10O3S/c1-2-12-9(11)6-7(10)8-4-3-5-13-8/h3-5H,2,6H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,11,10,12,6,7,9,4,8,5,3,13/rA:13nCCOCOCCOCCCCS/rB:s1;s2;s3;d4;s4;s6;d7;s7;d9;s10;d11;s9s12;/rC:;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C9H10O3S
All Atoms:13
Heavy Atoms:13
Chiral Atoms:0
ZAP Information [?]
Total:6.04954
Area:376.37
Solvation:-3.35972
Coulombic:-24.7092
Bond Count [?]
All:13
Single:9
Double:4
Rotors:5
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:198.24
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:1.41
LogP (Chemaxon):1.0

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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