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15776-28-0 | Methanone, (3-hydroxybenzo[b]thien-2-yl)phenyl-
CAS No: 15776-28-0 Catalog No: AG001POS MDL No:
Product Description
Catalog Number:
AG001POS
Chemical Name:
Methanone, (3-hydroxybenzo[b]thien-2-yl)phenyl-
CAS Number:
15776-28-0
Molecular Formula:
C15H10O2S
Molecular Weight:
254.3037
IUPAC Name:
(3-hydroxy-1-benzothiophen-2-yl)-phenylmethanone
InChI:
InChI=1S/C15H10O2S/c16-13(10-6-2-1-3-7-10)15-14(17)11-8-4-5-9-12(11)18-15/h1-9,17H
InChI Key:
ALJWLHQGTSSBHL-UHFFFAOYSA-N
SMILES:
O=C(c1sc2c(c1O)cccc2)c1ccccc1
Properties
Complexity:
312
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
254.04g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
254.303g/mol
Monoisotopic Mass:
254.04g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
65.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.8
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