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89724-82-3 | Ethanone, 1-[5-(2,3-dihydroxypropoxy)-2-thienyl]-
CAS No: 89724-82-3 Catalog No: AG0042CM MDL No:
Product Description
Catalog Number:
AG0042CM
Chemical Name:
Ethanone, 1-[5-(2,3-dihydroxypropoxy)-2-thienyl]-
CAS Number:
89724-82-3
Molecular Formula:
C9H12O4S
Molecular Weight:
216.2542
IUPAC Name:
1-[5-(2,3-dihydroxypropoxy)thiophen-2-yl]ethanone
InChI:
InChI=1S/C9H12O4S/c1-6(11)8-2-3-9(14-8)13-5-7(12)4-10/h2-3,7,10,12H,4-5H2,1H3
InChI Key:
YCYABKSXPHKNSW-UHFFFAOYSA-N
SMILES:
CC(=O)c1ccc(s1)OCC(CO)O
Properties
Complexity:
197
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
216.046g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
216.251g/mol
Monoisotopic Mass:
216.046g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
95A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6
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