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Home > Other Heterocycles > 100234-39-7
100234-39-7 | 1,4,6-Trioxaspiro[4.5]decane, 2-(phenoxymethyl)-
CAS No: 100234-39-7 Catalog No: AG0001BT MDL No:
Product Description
Catalog Number:
AG0001BT
Chemical Name:
1,4,6-Trioxaspiro[4.5]decane, 2-(phenoxymethyl)-
CAS Number:
100234-39-7
Molecular Formula:
C14H18O4
Molecular Weight:
250.2903
IUPAC Name:
3-(phenoxymethyl)-1,4,10-trioxaspiro[4.5]decane
InChI:
InChI=1S/C14H18O4/c1-2-6-12(7-3-1)15-10-13-11-17-14(18-13)8-4-5-9-16-14/h1-3,6-7,13H,4-5,8-11H2
InChI Key:
SJNBQOPLGUMPQG-UHFFFAOYSA-N
SMILES:
C1CCC2(OC1)OCC(O2)COc1ccccc1
Properties
Complexity:
265
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
250.121g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
250.294g/mol
Monoisotopic Mass:
250.121g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
36.9A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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