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1013621-67-4 | Benzenepropanol, α-[3-[[(1,1-dimethylethyl)dimethylsilyl]oxy]phenyl]-3,4-dimethoxy-, (αR)-
CAS No: 1013621-67-4 Catalog No: AG0004AF MDL No:
Product Description
Catalog Number:
AG0004AF
Chemical Name:
Benzenepropanol, α-[3-[[(1,1-dimethylethyl)dimethylsilyl]oxy]phenyl]-3,4-dimethoxy-, (αR)-
CAS Number:
1013621-67-4
Molecular Formula:
C23H34O4Si
Molecular Weight:
402.5992
IUPAC Name:
(1R)-1-[3-[tert-butyl(dimethyl)silyl]oxyphenyl]-3-(3,4-dimethoxyphenyl)propan-1-ol
InChI:
InChI=1S/C23H34O4Si/c1-23(2,3)28(6,7)27-19-10-8-9-18(16-19)20(24)13-11-17-12-14-21(25-4)22(15-17)26-5/h8-10,12,14-16,20,24H,11,13H2,1-7H3/t20-/m1/s1
InChI Key:
CQTSHKFKOPDWAO-HXUWFJFHSA-N
SMILES:
COc1cc(CC[C@H](c2cccc(c2)O[Si](C(C)(C)C)(C)C)O)ccc1OC
Properties
Complexity:
462
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
402.223g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
402.606g/mol
Monoisotopic Mass:
402.223g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
47.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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