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145354-78-5 | [4,4'-Bi-1,3-dioxolane]-2-methanol, 2',2'-dimethyl-, (2S,4S,4'R)-
CAS No: 145354-78-5 Catalog No: AG001KUN MDL No:MFCD09833778
Product Description
Catalog Number:
AG001KUN
Chemical Name:
[4,4'-Bi-1,3-dioxolane]-2-methanol, 2',2'-dimethyl-, (2S,4S,4'R)-
CAS Number:
145354-78-5
Molecular Formula:
C9H16O5
Molecular Weight:
204.2203
MDL Number:
MFCD09833778
IUPAC Name:
[(2S,4S)-4-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-1,3-dioxolan-2-yl]methanol
InChI:
InChI=1S/C9H16O5/c1-9(2)12-5-7(14-9)6-4-11-8(3-10)13-6/h6-8,10H,3-5H2,1-2H3/t6-,7+,8-/m0/s1
InChI Key:
ACRXATKXLFPSEO-RNJXMRFFSA-N
SMILES:
OC[C@H]1OC[C@H](O1)[C@H]1COC(O1)(C)C
Properties
Complexity:
205
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
3
Defined Bond Stereocenter Count:
0
Exact Mass:
204.1g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
204.222g/mol
Monoisotopic Mass:
204.1g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
57.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.5
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