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6436-59-5 | Ethyl 2-methylthiazole-4-carboxylate
CAS No: 6436-59-5 Catalog No: AG003Q4X MDL No:MFCD00156148
Product Description
Catalog Number:
AG003Q4X
Chemical Name:
Ethyl 2-methylthiazole-4-carboxylate
CAS Number:
6436-59-5
Molecular Formula:
C7H9NO2S
Molecular Weight:
171.2169
MDL Number:
MFCD00156148
IUPAC Name:
ethyl 2-methyl-1,3-thiazole-4-carboxylate
InChI:
InChI=1S/C7H9NO2S/c1-3-10-7(9)6-4-11-5(2)8-6/h4H,3H2,1-2H3
InChI Key:
QWWPUBQHZFHZSF-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1csc(n1)C
NSC Number:
159893
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:
1.9
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