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827609-00-7 | 1,3-Dioxolane, 2,2,4-trimethyl-5-(phenylmethyl)-, (4S,5R)-
CAS No: 827609-00-7 Catalog No: AG004TQM MDL No:
Product Description
Catalog Number:
AG004TQM
Chemical Name:
1,3-Dioxolane, 2,2,4-trimethyl-5-(phenylmethyl)-, (4S,5R)-
CAS Number:
827609-00-7
Molecular Formula:
C13H18O2
Molecular Weight:
206.2808
IUPAC Name:
(4R,5S)-4-benzyl-2,2,5-trimethyl-1,3-dioxolane
InChI:
InChI=1S/C13H18O2/c1-10-12(15-13(2,3)14-10)9-11-7-5-4-6-8-11/h4-8,10,12H,9H2,1-3H3/t10-,12+/m0/s1
InChI Key:
NNCGMAYKGDUXMF-CMPLNLGQSA-N
SMILES:
C[C@@H]1OC(O[C@@H]1Cc1ccccc1)(C)C
Properties
Complexity:
207
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
206.131g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
206.285g/mol
Monoisotopic Mass:
206.131g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
18.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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