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10095-83-7 | 6H-Cyclohepta[c]thiophen-6-one
CAS No: 10095-83-7 Catalog No: AG0003AA MDL No:
Product Description
Catalog Number:
AG0003AA
Chemical Name:
6H-Cyclohepta[c]thiophen-6-one
CAS Number:
10095-83-7
Molecular Formula:
C9H6OS
Molecular Weight:
162.2083
IUPAC Name:
cyclohepta[c]thiophen-6-one
InChI:
InChI=1S/C9H6OS/c10-9-3-1-7-5-11-6-8(7)2-4-9/h1-6H
InChI Key:
DEPCIMYHRSNGJN-UHFFFAOYSA-N
SMILES:
O=c1ccc2c(cc1)csc2
Properties
Complexity:
208
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
162.014g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
162.206g/mol
Monoisotopic Mass:
162.014g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
45.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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