Home Nitriles 4-methoxy-3,3-dimethylbutanenitrile

4-methoxy-3,3-dimethylbutanenitrile

CAS No.:
854866-84-5
Catalog Number:
AG01AUS1
Molecular Formula:
C7H13NO
Molecular Weight:
127.1842
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Product Description
Catalog Number:
AG01AUS1
Chemical Name:
4-methoxy-3,3-dimethylbutanenitrile
CAS Number:
854866-84-5
Molecular Formula:
C7H13NO
Molecular Weight:
127.1842
MDL Number:
MFCD27930058
IUPAC Name:
4-methoxy-3,3-dimethylbutanenitrile
InChI:
InChI=1S/C7H13NO/c1-7(2,4-5-8)6-9-3/h4,6H2,1-3H3
InChI Key:
MNADLBBBJAUHQX-UHFFFAOYSA-N
SMILES:
COCC(CC#N)(C)C
Properties
Complexity:
120  
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:
1  
Properties