Home Nitriles 2-[(1R,2S)-2-hydroxycyclohexyl]acetonitrile

2-[(1R,2S)-2-hydroxycyclohexyl]acetonitrile

CAS No.:
74708-24-0
Catalog Number:
AG01EMOO
Molecular Formula:
C8H13NO
Molecular Weight:
139.1949
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Product Description
Catalog Number:
AG01EMOO
Chemical Name:
2-[(1R,2S)-2-hydroxycyclohexyl]acetonitrile
CAS Number:
74708-24-0
Molecular Formula:
C8H13NO
Molecular Weight:
139.1949
MDL Number:
MFCD21602759
IUPAC Name:
2-[(1R,2S)-2-hydroxycyclohexyl]acetonitrile
InChI:
InChI=1S/C8H13NO/c9-6-5-7-3-1-2-4-8(7)10/h7-8,10H,1-5H2/t7-,8+/m1/s1
InChI Key:
GAFNITUKNVGWAR-SFYZADRCSA-N
SMILES:
N#CC[C@H]1CCCC[C@@H]1O
Properties
Complexity:
147  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
2  
Defined Bond Stereocenter Count:
0
Exact Mass:
139.1g/mol
Formal Charge:
0
Heavy Atom Count:
10  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
139.198g/mol
Monoisotopic Mass:
139.1g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
44A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9  
Properties