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100860-96-6 | 1-Propanone, 3-(dimethylamino)-1-(3-thienyl)-
CAS No: 100860-96-6 Catalog No: AG000325 MDL No:MFCD08703197
Product Description
Catalog Number:
AG000325
Chemical Name:
1-Propanone, 3-(dimethylamino)-1-(3-thienyl)-
CAS Number:
100860-96-6
Molecular Formula:
C9H13NOS
Molecular Weight:
183.2706
MDL Number:
MFCD08703197
IUPAC Name:
3-(dimethylamino)-1-thiophen-3-ylpropan-1-one
InChI:
InChI=1S/C9H13NOS/c1-10(2)5-3-9(11)8-4-6-12-7-8/h4,6-7H,3,5H2,1-2H3
InChI Key:
DYYOWHYLIHNOQQ-UHFFFAOYSA-N
SMILES:
CN(CCC(=O)c1cscc1)C
Properties
Complexity:
159
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
183.072g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
183.269g/mol
Monoisotopic Mass:
183.072g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
48.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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