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89053-64-5 | 1,3-Dioxolan-4-one, 2,2-dimethyl-5-(phenylmethyl)-, (S)-
CAS No: 89053-64-5 Catalog No: AG00429Y MDL No:
Product Description
Catalog Number:
AG00429Y
Chemical Name:
1,3-Dioxolan-4-one, 2,2-dimethyl-5-(phenylmethyl)-, (S)-
CAS Number:
89053-64-5
Molecular Formula:
C12H14O3
Molecular Weight:
206.2378
IUPAC Name:
(5S)-5-benzyl-2,2-dimethyl-1,3-dioxolan-4-one
InChI:
InChI=1S/C12H14O3/c1-12(2)14-10(11(13)15-12)8-9-6-4-3-5-7-9/h3-7,10H,8H2,1-2H3/t10-/m0/s1
InChI Key:
QLNFEMZFWFIBGL-JTQLQIEISA-N
SMILES:
O=C1OC(O[C@H]1Cc1ccccc1)(C)C
Properties
Complexity:
241
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
206.094g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
206.241g/mol
Monoisotopic Mass:
206.094g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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