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2060063-05-8 | methyl 2-ethyl-2-(1,3-thiazol-2-yl)butanoate
CAS No: 2060063-05-8 Catalog No: AG01BOSF MDL No:MFCD30499506
Product Description
Catalog Number:
AG01BOSF
Chemical Name:
methyl 2-ethyl-2-(1,3-thiazol-2-yl)butanoate
CAS Number:
2060063-05-8
Molecular Formula:
C10H15NO2S
Molecular Weight:
213.2966
MDL Number:
MFCD30499506
IUPAC Name:
methyl 2-ethyl-2-(1,3-thiazol-2-yl)butanoate
InChI:
InChI=1S/C10H15NO2S/c1-4-10(5-2,9(12)13-3)8-11-6-7-14-8/h6-7H,4-5H2,1-3H3
InChI Key:
OJZODGJONPCJGX-UHFFFAOYSA-N
SMILES:
COC(=O)C(c1nccs1)(CC)CC
Properties
Complexity:
204
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:
5
Topological Polar Surface Area:
67.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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