Home Nitriles 4-(2-hydroxyethoxy)oxane-4-carbonitrile

4-(2-hydroxyethoxy)oxane-4-carbonitrile

CAS No.:
1701845-37-5
Catalog Number:
AG01B1BX
Molecular Formula:
C8H13NO3
Molecular Weight:
171.1937
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Product Description
Catalog Number:
AG01B1BX
Chemical Name:
4-(2-hydroxyethoxy)oxane-4-carbonitrile
CAS Number:
1701845-37-5
Molecular Formula:
C8H13NO3
Molecular Weight:
171.1937
MDL Number:
MFCD28151985
IUPAC Name:
4-(2-hydroxyethoxy)oxane-4-carbonitrile
InChI:
InChI=1S/C8H13NO3/c9-7-8(12-6-3-10)1-4-11-5-2-8/h10H,1-6H2
InChI Key:
DBVIQERKJKBJPJ-UHFFFAOYSA-N
SMILES:
OCCOC1(CCOCC1)C#N
Properties
Complexity:
178  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
171.09g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
171.196g/mol
Monoisotopic Mass:
171.09g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
62.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.6  
Properties