Home Nitriles 2-(3-(Hydroxymethyl)oxetan-3-yl)acetonitrile

2-(3-(Hydroxymethyl)oxetan-3-yl)acetonitrile

CAS No.:
42941-62-8
Catalog Number:
AG0070AC
Molecular Formula:
C6H9NO2
Molecular Weight:
127.1412
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Product Description
Catalog Number:
AG0070AC
Chemical Name:
2-(3-(Hydroxymethyl)oxetan-3-yl)acetonitrile
CAS Number:
42941-62-8
Molecular Formula:
C6H9NO2
Molecular Weight:
127.1412
MDL Number:
MFCD14586419
IUPAC Name:
2-[3-(hydroxymethyl)oxetan-3-yl]acetonitrile
InChI:
InChI=1S/C6H9NO2/c7-2-1-6(3-8)4-9-5-6/h8H,1,3-5H2
InChI Key:
FQVIUCMKUIUWKC-UHFFFAOYSA-N
SMILES:
OCC1(COC1)CC#N
Properties
Complexity:
142  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
127.063g/mol
Formal Charge:
0
Heavy Atom Count:
9  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
127.143g/mol
Monoisotopic Mass:
127.063g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
53.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-1  
Properties