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Home > Other Heterocycles > 139609-22-6
139609-22-6 | 1,4,7-Trioxaspiro[4.4]nonan-8-ol
CAS No: 139609-22-6 Catalog No: AG001BDM MDL No:
Product Description
Catalog Number:
AG001BDM
Chemical Name:
1,4,7-Trioxaspiro[4.4]nonan-8-ol
CAS Number:
139609-22-6
Molecular Formula:
C6H10O4
Molecular Weight:
146.1412
IUPAC Name:
1,4,7-trioxaspiro[4.4]nonan-8-ol
InChI:
InChI=1S/C6H10O4/c7-5-3-6(4-8-5)9-1-2-10-6/h5,7H,1-4H2
InChI Key:
CBSBAROETVXUEJ-UHFFFAOYSA-N
SMILES:
OC1OCC2(C1)OCCO2
Properties
Complexity:
130
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
146.058g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
146.142g/mol
Monoisotopic Mass:
146.058g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
47.9A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.9
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