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93398-98-2 | 1,4,6,9-Tetraoxaspiro[4.4]nonane, 2-(chloromethyl)-
CAS No: 93398-98-2 Catalog No: AG006FYE MDL No:
Product Description
Catalog Number:
AG006FYE
Chemical Name:
1,4,6,9-Tetraoxaspiro[4.4]nonane, 2-(chloromethyl)-
CAS Number:
93398-98-2
Molecular Formula:
C6H9ClO4
Molecular Weight:
180.5863
IUPAC Name:
3-(chloromethyl)-1,4,6,9-tetraoxaspiro[4.4]nonane
InChI:
InChI=1S/C6H9ClO4/c7-3-5-4-10-6(11-5)8-1-2-9-6/h5H,1-4H2
InChI Key:
ZTMZBSQDAPBAII-UHFFFAOYSA-N
SMILES:
ClCC1COC2(O1)OCCO2
Properties
Complexity:
146
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
180.019g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
180.584g/mol
Monoisotopic Mass:
180.019g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
36.9A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0
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