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84449-63-8 | 4-(6-Acetoxybenzo[b]thiophen-2-yl)phenyl acetate
CAS No: 84449-63-8 Catalog No: AG0055NI MDL No:MFCD03411575
Product Description
Catalog Number:
AG0055NI
Chemical Name:
4-(6-Acetoxybenzo[b]thiophen-2-yl)phenyl acetate
CAS Number:
84449-63-8
Molecular Formula:
C18H14O4S
Molecular Weight:
326.3664
MDL Number:
MFCD03411575
IUPAC Name:
[4-(6-acetyloxy-1-benzothiophen-2-yl)phenyl] acetate
InChI:
InChI=1S/C18H14O4S/c1-11(19)21-15-6-3-13(4-7-15)17-9-14-5-8-16(22-12(2)20)10-18(14)23-17/h3-10H,1-2H3
InChI Key:
IMFDWSXWQJFLLZ-UHFFFAOYSA-N
SMILES:
CC(=O)Oc1ccc(cc1)c1sc2c(c1)ccc(c2)OC(=O)C
EC Number:
814-574-2
Properties
Complexity:
444
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
326.061g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
326.366g/mol
Monoisotopic Mass:
326.061g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
80.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.1
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