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94159-31-6 | 2-(4-Methylthiazol-5-yl)ethyl butyrate
CAS No: 94159-31-6 Catalog No: AG005TD7 MDL No:MFCD09032913
Product Description
Catalog Number:
AG005TD7
Chemical Name:
2-(4-Methylthiazol-5-yl)ethyl butyrate
CAS Number:
94159-31-6
Molecular Formula:
C10H15NO2S
Molecular Weight:
213.2966
MDL Number:
MFCD09032913
IUPAC Name:
2-(4-methyl-1,3-thiazol-5-yl)ethyl butanoate
InChI:
InChI=1S/C10H15NO2S/c1-3-4-10(12)13-6-5-9-8(2)11-7-14-9/h7H,3-6H2,1-2H3
InChI Key:
GDRZNYCKSKHESZ-UHFFFAOYSA-N
SMILES:
CCCC(=O)OCCc1scnc1C
EC Number:
303-209-8
UNII:
27MC9Q333F
FEMA Number:
4277
Properties
Complexity:
187
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
213.082g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
213.295g/mol
Monoisotopic Mass:
213.082g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
67.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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