200,000+ products from a single source!
sales@angenechem.com
Home > Other Heterocycles > 158530-95-1
158530-95-1 | 2-Oxaspiro[4.5]dec-7-ene-1,6-dione, 8-methyl-, (5S)-
CAS No: 158530-95-1 Catalog No: AG001Q9N MDL No:
Product Description
Catalog Number:
AG001Q9N
Chemical Name:
2-Oxaspiro[4.5]dec-7-ene-1,6-dione, 8-methyl-, (5S)-
CAS Number:
158530-95-1
Molecular Formula:
C10H12O3
Molecular Weight:
180.2005
IUPAC Name:
(5S)-8-methyl-2-oxaspiro[4.5]dec-7-ene-1,6-dione
InChI:
InChI=1S/C10H12O3/c1-7-2-3-10(8(11)6-7)4-5-13-9(10)12/h6H,2-5H2,1H3/t10-/m0/s1
InChI Key:
PQQGGNWFHARIPV-JTQLQIEISA-N
SMILES:
CC1=CC(=O)[C@]2(CC1)CCOC2=O
Properties
Complexity:
303
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
180.079g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
180.203g/mol
Monoisotopic Mass:
180.079g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
43.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.