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2138058-26-9

2138058-26-9 | 1-(dimethoxy-1,2-thiazol-4-yl)ethan-1-one

CAS No: 2138058-26-9 Catalog No: AG01EJWY MDL No:MFCD31559320

Product Description

Catalog Number:
AG01EJWY
Chemical Name:
1-(dimethoxy-1,2-thiazol-4-yl)ethan-1-one
CAS Number:
2138058-26-9
Molecular Formula:
C7H9NO3S
Molecular Weight:
187.2163
MDL Number:
MFCD31559320
IUPAC Name:
1-(3,5-dimethoxy-1,2-thiazol-4-yl)ethanone
InChI:
InChI=1S/C7H9NO3S/c1-4(9)5-6(10-2)8-12-7(5)11-3/h1-3H3
InChI Key:
YIHFJNRJEQBDDD-UHFFFAOYSA-N
SMILES:
COc1snc(c1C(=O)C)OC

Properties

Complexity:
176  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
187.03g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
187.213g/mol
Monoisotopic Mass:
187.03g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
76.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3  

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