Home Other Building Blocks 3-TERT-BUTOXYPROPANENITRILE

3-TERT-BUTOXYPROPANENITRILE

CAS No.:
99764-73-5
Catalog Number:
AG003X0W
Molecular Formula:
C7H13NO
Molecular Weight:
127.1842
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Product Description
Catalog Number:
AG003X0W
Chemical Name:
3-TERT-BUTOXYPROPANENITRILE
CAS Number:
99764-73-5
Molecular Formula:
C7H13NO
Molecular Weight:
127.1842
MDL Number:
MFCD04037897
IUPAC Name:
3-[(2-methylpropan-2-yl)oxy]propanenitrile
InChI:
InChI=1S/C7H13NO/c1-7(2,3)9-6-4-5-8/h4,6H2,1-3H3
InChI Key:
YWWQFUDBRVWOJV-UHFFFAOYSA-N
SMILES:
N#CCCOC(C)(C)C
Properties
Complexity:
115  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
127.1g/mol
Formal Charge:
0
Heavy Atom Count:
9  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
127.187g/mol
Monoisotopic Mass:
127.1g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
33A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8  
Properties