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88962-19-0 | Ethanone, 1-[5-(2-hydroxypropyl)-2-thienyl]-
CAS No: 88962-19-0 Catalog No: AG0046J3 MDL No:
Product Description
Catalog Number:
AG0046J3
Chemical Name:
Ethanone, 1-[5-(2-hydroxypropyl)-2-thienyl]-
CAS Number:
88962-19-0
Molecular Formula:
C9H12O2S
Molecular Weight:
184.2554
IUPAC Name:
1-[5-(2-hydroxypropyl)thiophen-2-yl]ethanone
InChI:
InChI=1S/C9H12O2S/c1-6(10)5-8-3-4-9(12-8)7(2)11/h3-4,6,10H,5H2,1-2H3
InChI Key:
PRYDLMDXTBMRMS-UHFFFAOYSA-N
SMILES:
CC(Cc1ccc(s1)C(=O)C)O
Properties
Complexity:
170
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
184.056g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
184.253g/mol
Monoisotopic Mass:
184.056g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
65.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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