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144236-94-2 | 1,3-Cyclohexanedione, 5,5-dimethyl-2-(2-thienylmethyl)-
CAS No: 144236-94-2 Catalog No: AG001J68 MDL No:
Product Description
Catalog Number:
AG001J68
Chemical Name:
1,3-Cyclohexanedione, 5,5-dimethyl-2-(2-thienylmethyl)-
CAS Number:
144236-94-2
Molecular Formula:
C13H16O2S
Molecular Weight:
236.3299
IUPAC Name:
5,5-dimethyl-2-(thiophen-2-ylmethyl)cyclohexane-1,3-dione
InChI:
InChI=1S/C13H16O2S/c1-13(2)7-11(14)10(12(15)8-13)6-9-4-3-5-16-9/h3-5,10H,6-8H2,1-2H3
InChI Key:
HCDWLBMEHHZJMW-UHFFFAOYSA-N
SMILES:
O=C1CC(C)(C)CC(=O)C1Cc1cccs1
Properties
Complexity:
289
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
236.087g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
236.329g/mol
Monoisotopic Mass:
236.087g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
62.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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