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191729-27-8 | 2-Propen-1-one, 3-(dimethylamino)-1-(2-thiazolyl)-
CAS No: 191729-27-8 Catalog No: AG002FGI MDL No:
Product Description
Catalog Number:
AG002FGI
Chemical Name:
2-Propen-1-one, 3-(dimethylamino)-1-(2-thiazolyl)-
CAS Number:
191729-27-8
Molecular Formula:
C8H10N2OS
Molecular Weight:
182.2428
IUPAC Name:
3-(dimethylamino)-1-(1,3-thiazol-2-yl)prop-2-en-1-one
InChI:
InChI=1S/C8H10N2OS/c1-10(2)5-3-7(11)8-9-4-6-12-8/h3-6H,1-2H3
InChI Key:
GZSQWEHWKBBIEM-UHFFFAOYSA-N
SMILES:
CN(C=CC(=O)c1nccs1)C
Properties
Complexity:
192
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
182.051g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
182.241g/mol
Monoisotopic Mass:
182.051g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
61.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
1.3
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