Chemical ID: 4725479

COC(=O)c1c(ccs1)O
Chemical ID:
4725479
Name [?]:
methyl 3-hydroxythiophene-2-carboxylate
SMILES [?]:
COC(=O)c1c(ccs1)O
InChi [?]:
InChI=1/C6H6O3S/c1-9-6(8)5-4(7)2-3-10-5/h2-3,7H,1H3
InChi Info:
AuxInfo=1/0/N:1,7,8,6,5,3,10,4,2,9/rA:10nCOCOCCCCSO/rB:s1;s2;d3;s3;d5;s6;d7;s5s8;s6;/rC:;;;;;;;;;;

Chemical Details

Atom Count
Formula:C6H6O3S
All Atoms:10
Heavy Atoms:10
Chiral Atoms:0
ZAP Information [?]
Total:5.02676
Area:300.21
Solvation:-2.47849
Coulombic:-35.7107
Bond Count [?]
All:10
Single:7
Double:3
Rotors:2
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:158.176
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:1.33
LogP (Chemaxon):1.38

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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