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79836-78-5 | Ethyl 2-methylthiazole-5-carboxylate
CAS No: 79836-78-5 Catalog No: AG005GQX MDL No:MFCD03840442
Product Description
Catalog Number:
AG005GQX
Chemical Name:
Ethyl 2-methylthiazole-5-carboxylate
CAS Number:
79836-78-5
Molecular Formula:
C7H9NO2S
Molecular Weight:
171.2169
MDL Number:
MFCD03840442
IUPAC Name:
ethyl 2-methyl-1,3-thiazole-5-carboxylate
InChI:
InChI=1S/C7H9NO2S/c1-3-10-7(9)6-4-8-5(2)11-6/h4H,3H2,1-2H3
InChI Key:
ORCQTMZHDQSNOJ-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1cnc(s1)C
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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