Home Nitriles 2-[4-(methoxymethyl)oxan-4-yl]acetonitrile

2-[4-(methoxymethyl)oxan-4-yl]acetonitrile

CAS No.:
2112519-12-5
Catalog Number:
AG01EJUR
Molecular Formula:
C9H15NO2
Molecular Weight:
169.2209
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Product Description
Catalog Number:
AG01EJUR
Chemical Name:
2-[4-(methoxymethyl)oxan-4-yl]acetonitrile
CAS Number:
2112519-12-5
Molecular Formula:
C9H15NO2
Molecular Weight:
169.2209
MDL Number:
MFCD31616386
IUPAC Name:
2-[4-(methoxymethyl)oxan-4-yl]acetonitrile
InChI:
InChI=1S/C9H15NO2/c1-11-8-9(2-5-10)3-6-12-7-4-9/h2-4,6-8H2,1H3
InChI Key:
IEDRBZJFNARZGS-UHFFFAOYSA-N
SMILES:
COCC1(CCOCC1)CC#N
Properties
Complexity:
176  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
169.11g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
169.224g/mol
Monoisotopic Mass:
169.11g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
42.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.2  
Properties