Home Other Building Blocks 2-cyano-2-methylbutanoic acid

2-cyano-2-methylbutanoic acid

CAS No.:
59462-08-7
Catalog Number:
AG01AECT
Molecular Formula:
C6H9NO2
Molecular Weight:
127.1412
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Product Description
Catalog Number:
AG01AECT
Chemical Name:
2-cyano-2-methylbutanoic acid
CAS Number:
59462-08-7
Molecular Formula:
C6H9NO2
Molecular Weight:
127.1412
MDL Number:
MFCD19228496
IUPAC Name:
2-cyano-2-methylbutanoic acid
InChI:
InChI=1S/C6H9NO2/c1-3-6(2,4-7)5(8)9/h3H2,1-2H3,(H,8,9)
InChI Key:
BAURMQOZWYLEGX-UHFFFAOYSA-N
SMILES:
CC(C(=O)O)(C#N)CC
Properties
Complexity:
167  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
127.063g/mol
Formal Charge:
0
Heavy Atom Count:
9  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
127.143g/mol
Monoisotopic Mass:
127.063g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
61.1A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
1  
Properties