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52517-49-4

52517-49-4 | 1-(2,5-DIMETHYL-1,3-THIAZOL-4-YL)ETHANONE

CAS No: 52517-49-4 Catalog No: AG00DCZO MDL No:MFCD06360130

Product Description

Catalog Number:
AG00DCZO
Chemical Name:
1-(2,5-DIMETHYL-1,3-THIAZOL-4-YL)ETHANONE
CAS Number:
52517-49-4
Molecular Formula:
C7H9NOS
Molecular Weight:
155.2175
MDL Number:
MFCD06360130
IUPAC Name:
1-(2,5-dimethyl-1,3-thiazol-4-yl)ethanone
InChI:
InChI=1S/C7H9NOS/c1-4(9)7-5(2)10-6(3)8-7/h1-3H3
InChI Key:
OJPIXALUIAHSQX-UHFFFAOYSA-N
SMILES:
Cc1sc(c(n1)C(=O)C)C

Properties

Complexity:
149  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
155.04g/mol
Formal Charge:
0
Heavy Atom Count:
10  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
155.215g/mol
Monoisotopic Mass:
155.04g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
58.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8  

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