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126567-38-2 | Butanenitrile, 2-(acetyloxy)-3,3-dimethyl-, (2R)-
CAS No: 126567-38-2 Catalog No: AG000SY7 MDL No:MFCD00191698
Product Description
Catalog Number:
AG000SY7
Chemical Name:
Butanenitrile, 2-(acetyloxy)-3,3-dimethyl-, (2R)-
CAS Number:
126567-38-2
Molecular Formula:
C8H13NO2
Molecular Weight:
155.1943
MDL Number:
MFCD00191698
IUPAC Name:
[(1R)-1-cyano-2,2-dimethylpropyl] acetate
InChI:
InChI=1S/C8H13NO2/c1-6(10)11-7(5-9)8(2,3)4/h7H,1-4H3/t7-/m0/s1
InChI Key:
GMXVZILJXCSLTG-ZETCQYMHSA-N
SMILES:
N#C[C@@H](C(C)(C)C)OC(=O)C
Properties
Complexity:
194
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
155.095g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
155.197g/mol
Monoisotopic Mass:
155.095g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
50.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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