Home Carboxys 1-cyano-2,2-dimethylcyclopropane-1-carboxylic acid

1-cyano-2,2-dimethylcyclopropane-1-carboxylic acid

CAS No.:
132570-71-9
Catalog Number:
AG01EK6Z
Molecular Formula:
C7H9NO2
Molecular Weight:
139.1519
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Product Description
Catalog Number:
AG01EK6Z
Chemical Name:
1-cyano-2,2-dimethylcyclopropane-1-carboxylic acid
CAS Number:
132570-71-9
Molecular Formula:
C7H9NO2
Molecular Weight:
139.1519
MDL Number:
MFCD28246988
IUPAC Name:
1-cyano-2,2-dimethylcyclopropane-1-carboxylic acid
InChI:
InChI=1S/C7H9NO2/c1-6(2)3-7(6,4-8)5(9)10/h3H2,1-2H3,(H,9,10)
InChI Key:
JASPGQAZRAUKQJ-UHFFFAOYSA-N
SMILES:
N#CC1(CC1(C)C)C(=O)O
Properties
Complexity:
235  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
139.063g/mol
Formal Charge:
0
Heavy Atom Count:
10  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
139.154g/mol
Monoisotopic Mass:
139.063g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
61.1A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9  
Properties