200,000+ products from a single source!
sales@angenechem.com
Home > Other Heterocycles > 138769-84-3
138769-84-3 | Spiro[4.4]nonan-1-one, 6-hydroxy-6-(2-thienyl)-
CAS No: 138769-84-3 Catalog No: AG0019IZ MDL No:
Product Description
Catalog Number:
AG0019IZ
Chemical Name:
Spiro[4.4]nonan-1-one, 6-hydroxy-6-(2-thienyl)-
CAS Number:
138769-84-3
Molecular Formula:
C13H16O2S
Molecular Weight:
236.3299
IUPAC Name:
4-hydroxy-4-thiophen-2-ylspiro[4.4]nonan-9-one
InChI:
InChI=1S/C13H16O2S/c14-10-4-1-6-12(10)7-3-8-13(12,15)11-5-2-9-16-11/h2,5,9,15H,1,3-4,6-8H2
InChI Key:
UMXURUTUMLAPHR-UHFFFAOYSA-N
SMILES:
O=C1CCCC21CCCC2(O)c1cccs1
Properties
Complexity:
317
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:
1
Isotope Atom Count:
0
Molecular Weight:
236.329g/mol
Monoisotopic Mass:
236.087g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
65.5A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.