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88962-16-7 | Ethanone, 1-[5-[3-(acetyloxy)butyl]-2-thienyl]-
CAS No: 88962-16-7 Catalog No: AG0047I2 MDL No:
Product Description
Catalog Number:
AG0047I2
Chemical Name:
Ethanone, 1-[5-[3-(acetyloxy)butyl]-2-thienyl]-
CAS Number:
88962-16-7
Molecular Formula:
C12H16O3S
Molecular Weight:
240.3186
IUPAC Name:
4-(5-acetylthiophen-2-yl)butan-2-yl acetate
InChI:
InChI=1S/C12H16O3S/c1-8(15-10(3)14)4-5-11-6-7-12(16-11)9(2)13/h6-8H,4-5H2,1-3H3
InChI Key:
LPLNIVAWGWRDNY-UHFFFAOYSA-N
SMILES:
CC(=O)OC(CCc1ccc(s1)C(=O)C)C
Properties
Complexity:
265
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
240.082g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
240.317g/mol
Monoisotopic Mass:
240.082g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
71.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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