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88050-76-4 | 8H-Cyclohepta[b]thiophen-8-one, 2-methyl-6-(1-methylethyl)-
CAS No: 88050-76-4 Catalog No: AG004FOP MDL No:
Product Description
Catalog Number:
AG004FOP
Chemical Name:
8H-Cyclohepta[b]thiophen-8-one, 2-methyl-6-(1-methylethyl)-
CAS Number:
88050-76-4
Molecular Formula:
C13H14OS
Molecular Weight:
218.3147
IUPAC Name:
2-methyl-6-propan-2-ylcyclohepta[b]thiophen-8-one
InChI:
InChI=1S/C13H14OS/c1-8(2)10-4-5-11-6-9(3)15-13(11)12(14)7-10/h4-8H,1-3H3
InChI Key:
SQUXZOPEUUSPBM-UHFFFAOYSA-N
SMILES:
Cc1cc2c(s1)c(=O)cc(cc2)C(C)C
Properties
Complexity:
327
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
218.077g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
218.314g/mol
Monoisotopic Mass:
218.077g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
45.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
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