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Home > Other Heterocycles > 94112-58-0
94112-58-0 | 8-Phenyl-1,4-dioxaspiro[4.5]decan-8-ol
CAS No: 94112-58-0 Catalog No: AG0067TS MDL No:MFCD06410870
Product Description
Catalog Number:
AG0067TS
Chemical Name:
8-Phenyl-1,4-dioxaspiro[4.5]decan-8-ol
CAS Number:
94112-58-0
Molecular Formula:
C14H18O3
Molecular Weight:
234.2909
MDL Number:
MFCD06410870
IUPAC Name:
8-phenyl-1,4-dioxaspiro[4.5]decan-8-ol
InChI:
InChI=1S/C14H18O3/c15-13(12-4-2-1-3-5-12)6-8-14(9-7-13)16-10-11-17-14/h1-5,15H,6-11H2
InChI Key:
JUTTXLGMDSGZCE-UHFFFAOYSA-N
SMILES:
OC1(CCC2(CC1)OCCO2)c1ccccc1
Properties
Complexity:
255
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
234.126g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
234.295g/mol
Monoisotopic Mass:
234.126g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
38.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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