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113534-14-8

113534-14-8 | 2-Propanol, 1-[[(1,1-dimethylethyl)dimethylsilyl]oxy]-, benzoate, (S)- (9CI)

CAS No: 113534-14-8 Catalog No: AG0008X7 MDL No:

Product Description

Catalog Number:
AG0008X7
Chemical Name:
2-Propanol, 1-[[(1,1-dimethylethyl)dimethylsilyl]oxy]-, benzoate, (S)- (9CI)
CAS Number:
113534-14-8
Molecular Formula:
C16H26O3Si
Molecular Weight:
294.4613
IUPAC Name:
benzoic acid;1-[tert-butyl(dimethyl)silyl]oxypropan-2-ol
InChI:
InChI=1S/C9H22O2Si.C7H6O2/c1-8(10)7-11-12(5,6)9(2,3)4;8-7(9)6-4-2-1-3-5-6/h8,10H,7H2,1-6H3;1-5H,(H,8,9)
InChI Key:
NYBDJGCWUFODNA-UHFFFAOYSA-N
SMILES:
C[C@H](OC(=O)c1ccccc1)CO[Si](C(C)(C)C)(C)C

Properties

Complexity:
241  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
312.176g/mol
Formal Charge:
0
Heavy Atom Count:
21  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
312.481g/mol
Monoisotopic Mass:
312.176g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
66.8A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0

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