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88745-21-5 | 1-Propanone, 1-(2,3-dihydro-2,5-dimethylbenzo[b]thien-6-yl)-
CAS No: 88745-21-5 Catalog No: AG004F5M MDL No:
Product Description
Catalog Number:
AG004F5M
Chemical Name:
1-Propanone, 1-(2,3-dihydro-2,5-dimethylbenzo[b]thien-6-yl)-
CAS Number:
88745-21-5
Molecular Formula:
C13H16OS
Molecular Weight:
220.3305
IUPAC Name:
1-(2,5-dimethyl-2,3-dihydro-1-benzothiophen-6-yl)propan-1-one
InChI:
InChI=1S/C13H16OS/c1-4-12(14)11-7-13-10(5-8(11)2)6-9(3)15-13/h5,7,9H,4,6H2,1-3H3
InChI Key:
ROMOMCAJBNWUPV-UHFFFAOYSA-N
SMILES:
CCC(=O)c1cc2SC(Cc2cc1C)C
Properties
Complexity:
251
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
220.092g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
220.33g/mol
Monoisotopic Mass:
220.092g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
42.4A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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