Home Nitriles 3,3,3-Trimethoxypropionitrile

3,3,3-Trimethoxypropionitrile

CAS No.:
70138-31-7
Catalog Number:
AG00FDT4
Molecular Formula:
C6H11NO3
Molecular Weight:
145.1564
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Product Description
Catalog Number:
AG00FDT4
Chemical Name:
3,3,3-Trimethoxypropionitrile
CAS Number:
70138-31-7
Molecular Formula:
C6H11NO3
Molecular Weight:
145.1564
MDL Number:
MFCD16619195
IUPAC Name:
3,3,3-trimethoxypropanenitrile
InChI:
InChI=1S/C6H11NO3/c1-8-6(9-2,10-3)4-5-7/h4H2,1-3H3
InChI Key:
IPJDXQYLAATRJK-UHFFFAOYSA-N
SMILES:
COC(CC#N)(OC)OC
Properties
Complexity:
125  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
145.074g/mol
Formal Charge:
0
Heavy Atom Count:
10  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
145.158g/mol
Monoisotopic Mass:
145.074g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
51.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.4  
Properties