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81569-45-1 | Methyl 5-ethylthiazole-4-carboxylate
CAS No: 81569-45-1 Catalog No: AG0051MA MDL No:MFCD20487830
Product Description
Catalog Number:
AG0051MA
Chemical Name:
Methyl 5-ethylthiazole-4-carboxylate
CAS Number:
81569-45-1
Molecular Formula:
C7H9NO2S
Molecular Weight:
171.2169
MDL Number:
MFCD20487830
IUPAC Name:
methyl 5-ethyl-1,3-thiazole-4-carboxylate
InChI:
InChI=1S/C7H9NO2S/c1-3-5-6(7(9)10-2)8-4-11-5/h4H,3H2,1-2H3
InChI Key:
UJWHTPUQSUHEGZ-UHFFFAOYSA-N
SMILES:
COC(=O)c1ncsc1CC
Properties
Complexity:
151
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
171.035g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
171.214g/mol
Monoisotopic Mass:
171.035g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
67.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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