200,000+ products from a single source!
sales@angenechem.com
Home > Other Heterocycles > 87978-70-9
87978-70-9 | 1,3,8-Trioxaspiro[4.5]decane-4,7,9-trione, 2-phenyl-
CAS No: 87978-70-9 Catalog No: AG004LMG MDL No:
Product Description
Catalog Number:
AG004LMG
Chemical Name:
1,3,8-Trioxaspiro[4.5]decane-4,7,9-trione, 2-phenyl-
CAS Number:
87978-70-9
Molecular Formula:
C13H10O6
Molecular Weight:
262.2149
IUPAC Name:
2-phenyl-1,3,8-trioxaspiro[4.5]decane-4,7,9-trione
InChI:
InChI=1S/C13H10O6/c14-9-6-13(7-10(15)17-9)12(16)18-11(19-13)8-4-2-1-3-5-8/h1-5,11H,6-7H2
InChI Key:
SMWPXALECUPFAE-UHFFFAOYSA-N
SMILES:
O=C1OC(=O)CC2(C1)OC(OC2=O)c1ccccc1
Properties
Complexity:
407
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
262.048g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
262.217g/mol
Monoisotopic Mass:
262.048g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
78.9A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.