Home Other Building Blocks methyl 3-cyano-3,3-dimethylpropanoate

methyl 3-cyano-3,3-dimethylpropanoate

CAS No.:
132218-55-4
Catalog Number:
AG01BHRK
Molecular Formula:
C7H11NO2
Molecular Weight:
141.1677
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Product Description
Catalog Number:
AG01BHRK
Chemical Name:
methyl 3-cyano-3,3-dimethylpropanoate
CAS Number:
132218-55-4
Molecular Formula:
C7H11NO2
Molecular Weight:
141.1677
MDL Number:
MFCD28145379
IUPAC Name:
methyl 3-cyano-3-methylbutanoate
InChI:
InChI=1S/C7H11NO2/c1-7(2,5-8)4-6(9)10-3/h4H2,1-3H3
InChI Key:
YLMVBVOUQGVTGX-UHFFFAOYSA-N
SMILES:
COC(=O)CC(C#N)(C)C
Properties
Complexity:
175  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
141.079g/mol
Formal Charge:
0
Heavy Atom Count:
10  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
141.17g/mol
Monoisotopic Mass:
141.079g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
50.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7  
Properties