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162600-00-2 | 1,3-Dioxolane-4-methanol, 2,2-dimethyl-5-phenyl-, (4S,5R)-
CAS No: 162600-00-2 Catalog No: AG001T98 MDL No:
Product Description
Catalog Number:
AG001T98
Chemical Name:
1,3-Dioxolane-4-methanol, 2,2-dimethyl-5-phenyl-, (4S,5R)-
CAS Number:
162600-00-2
Molecular Formula:
C12H16O3
Molecular Weight:
208.2536
IUPAC Name:
[(4S,5R)-2,2-dimethyl-5-phenyl-1,3-dioxolan-4-yl]methanol
InChI:
InChI=1S/C12H16O3/c1-12(2)14-10(8-13)11(15-12)9-6-4-3-5-7-9/h3-7,10-11,13H,8H2,1-2H3/t10-,11+/m0/s1
InChI Key:
INLPMARGHPUMDP-WDEREUQCSA-N
SMILES:
OC[C@@H]1OC(O[C@@H]1c1ccccc1)(C)C
Properties
Complexity:
209
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
208.11g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
208.257g/mol
Monoisotopic Mass:
208.11g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
38.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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