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116250-89-6 | 1,4,6-Trioxaspiro[4.4]nonan-9-ol, 2-(chloromethyl)-8,8-dimethyl-
CAS No: 116250-89-6 Catalog No: AG000C27 MDL No:
Product Description
Catalog Number:
AG000C27
Chemical Name:
1,4,6-Trioxaspiro[4.4]nonan-9-ol, 2-(chloromethyl)-8,8-dimethyl-
CAS Number:
116250-89-6
Molecular Formula:
C9H15ClO4
Molecular Weight:
222.6660
IUPAC Name:
3-(chloromethyl)-8,8-dimethyl-1,4,6-trioxaspiro[4.4]nonan-9-ol
InChI:
InChI=1S/C9H15ClO4/c1-8(2)5-13-9(7(8)11)12-4-6(3-10)14-9/h6-7,11H,3-5H2,1-2H3
InChI Key:
KSMQDMXLSKDWPE-UHFFFAOYSA-N
SMILES:
ClCC1COC2(O1)OCC(C2O)(C)C
Properties
Complexity:
233
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
222.066g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
222.665g/mol
Monoisotopic Mass:
222.066g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
47.9A^2
Undefined Atom Stereocenter Count:
3
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6
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