Home Nitriles rac-(1s,4s)-4-(hydroxymethyl)cyclohexane-1-carbonitrile, cis

rac-(1s,4s)-4-(hydroxymethyl)cyclohexane-1-carbonitrile, cis

CAS No.:
1807891-12-8
Catalog Number:
AG01BHNT
Molecular Formula:
C8H13NO
Molecular Weight:
139.1949
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Product Description
Catalog Number:
AG01BHNT
Chemical Name:
rac-(1s,4s)-4-(hydroxymethyl)cyclohexane-1-carbonitrile, cis
CAS Number:
1807891-12-8
Molecular Formula:
C8H13NO
Molecular Weight:
139.1949
MDL Number:
MFCD24528346
IUPAC Name:
4-(hydroxymethyl)cyclohexane-1-carbonitrile
InChI:
InChI=1S/C8H13NO/c9-5-7-1-3-8(6-10)4-2-7/h7-8,10H,1-4,6H2
InChI Key:
GRPCILYSCDCPJA-UHFFFAOYSA-N
SMILES:
OC[C@@H]1CC[C@@H](CC1)C#N
Properties
Complexity:
139  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
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:
0.7  
Properties