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192568-02-8 | Hexanenitrile, 2-hydroxy-2,5-dimethyl-, (2S)-
CAS No: 192568-02-8 Catalog No: AG002G3E MDL No:
Product Description
Catalog Number:
AG002G3E
Chemical Name:
Hexanenitrile, 2-hydroxy-2,5-dimethyl-, (2S)-
CAS Number:
192568-02-8
Molecular Formula:
C8H15NO
Molecular Weight:
141.2108
IUPAC Name:
(2S)-2-hydroxy-2,5-dimethylhexanenitrile
InChI:
InChI=1S/C8H15NO/c1-7(2)4-5-8(3,10)6-9/h7,10H,4-5H2,1-3H3/t8-/m0/s1
InChI Key:
PLCIHCBMYXZOLC-QMMMGPOBSA-N
SMILES:
CC(CC[C@@](C#N)(O)C)C
Properties
Complexity:
145
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
141.115g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
141.214g/mol
Monoisotopic Mass:
141.115g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
44A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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