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43039-98-1 | 1-(Thiazol-2-yl)propan-1-one
CAS No: 43039-98-1 Catalog No: AG003B9N MDL No:MFCD01681404
Product Description
Catalog Number:
AG003B9N
Chemical Name:
1-(Thiazol-2-yl)propan-1-one
CAS Number:
43039-98-1
Molecular Formula:
C6H7NOS
Molecular Weight:
141.1909
MDL Number:
MFCD01681404
IUPAC Name:
1-(1,3-thiazol-2-yl)propan-1-one
InChI:
InChI=1S/C6H7NOS/c1-2-5(8)6-7-3-4-9-6/h3-4H,2H2,1H3
InChI Key:
TYRAENAWSLPSLW-UHFFFAOYSA-N
SMILES:
CCC(=O)c1nccs1
UNII:
05CB62UH9K
FEMA Number:
3611
Properties
Complexity:
116
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
141.025g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
141.188g/mol
Monoisotopic Mass:
141.025g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
58.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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