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145354-79-6 | [4,4'-Bi-1,3-dioxolane]-2-methanol, 2',2'-dimethyl-, 2-benzoate, (2S,4S,4'R)-
CAS No: 145354-79-6 Catalog No: AG001KUM MDL No:
Product Description
Catalog Number:
AG001KUM
Chemical Name:
[4,4'-Bi-1,3-dioxolane]-2-methanol, 2',2'-dimethyl-, 2-benzoate, (2S,4S,4'R)-
CAS Number:
145354-79-6
Molecular Formula:
C16H20O6
Molecular Weight:
308.3264
IUPAC Name:
[(2S,4S)-4-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-1,3-dioxolan-2-yl]methyl benzoate
InChI:
InChI=1S/C16H20O6/c1-16(2)20-9-13(22-16)12-8-18-14(21-12)10-19-15(17)11-6-4-3-5-7-11/h3-7,12-14H,8-10H2,1-2H3/t12-,13+,14-/m0/s1
InChI Key:
PDYNSSGHLKHKEP-MJBXVCDLSA-N
SMILES:
O=C(c1ccccc1)OC[C@H]1OC[C@H](O1)[C@H]1COC(O1)(C)C
Properties
Complexity:
390
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
3
Defined Bond Stereocenter Count:
0
Exact Mass:
308.126g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
308.33g/mol
Monoisotopic Mass:
308.126g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
63.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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