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86223-08-7 | Thieno[3,2-c][1]benzoxepin-10(4H)-one,8-(4-hydroxybutyl)-
CAS No: 86223-08-7 Catalog No: AG004NGY MDL No:
Product Description
Catalog Number:
AG004NGY
Chemical Name:
Thieno[3,2-c][1]benzoxepin-10(4H)-one,8-(4-hydroxybutyl)-
CAS Number:
86223-08-7
Molecular Formula:
C16H16O3S
Molecular Weight:
288.3614
IUPAC Name:
8-(4-hydroxybutyl)-4H-thieno[3,2-c][1]benzoxepin-10-one
InChI:
InChI=1S/C16H16O3S/c17-7-2-1-3-11-4-5-14-13(9-11)15(18)16-12(10-19-14)6-8-20-16/h4-6,8-9,17H,1-3,7,10H2
InChI Key:
IPHKVWAKDXKJRE-UHFFFAOYSA-N
SMILES:
OCCCCc1ccc2c(c1)C(=O)c1sccc1CO2
Properties
Complexity:
347
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
288.082g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
288.361g/mol
Monoisotopic Mass:
288.082g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
74.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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