Home Other Building Blocks 2,6,9-trioxaspiro[4.5]decan-10-one

2,6,9-trioxaspiro[4.5]decan-10-one

CAS No.:
1955494-75-3
Catalog Number:
AG01B515
Molecular Formula:
C7H10O4
Molecular Weight:
158.1519
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Product Description
Catalog Number:
AG01B515
Chemical Name:
2,6,9-trioxaspiro[4.5]decan-10-one
CAS Number:
1955494-75-3
Molecular Formula:
C7H10O4
Molecular Weight:
158.1519
MDL Number:
MFCD29991872
IUPAC Name:
2,6,9-trioxaspiro[4.5]decan-10-one
InChI:
InChI=1S/C7H10O4/c8-6-7(1-2-9-5-7)11-4-3-10-6/h1-5H2
InChI Key:
CBWFUUCLZBJFFO-UHFFFAOYSA-N
SMILES:
O=C1OCCOC21COCC2
Properties
Complexity:
179  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
158.058g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
158.153g/mol
Monoisotopic Mass:
158.058g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
44.8A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.4  
Properties