Home Carboxys 3-cyano-1-methylcyclobutane-1-carboxylic acid, Mixture of diastereomers

3-cyano-1-methylcyclobutane-1-carboxylic acid, Mixture of diastereomers

CAS No.:
2138045-01-7
Catalog Number:
AG01EL0E
Molecular Formula:
C7H9NO2
Molecular Weight:
139.1519
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Product Description
Catalog Number:
AG01EL0E
Chemical Name:
3-cyano-1-methylcyclobutane-1-carboxylic acid, Mixture of diastereomers
CAS Number:
2138045-01-7
Molecular Formula:
C7H9NO2
Molecular Weight:
139.1519
MDL Number:
MFCD31558986
IUPAC Name:
3-cyano-1-methylcyclobutane-1-carboxylic acid
InChI:
InChI=1S/C7H9NO2/c1-7(6(9)10)2-5(3-7)4-8/h5H,2-3H2,1H3,(H,9,10)
InChI Key:
KVHZIDJLDIRBGK-UHFFFAOYSA-N
SMILES:
N#CC1CC(C1)(C)C(=O)O
Properties
Complexity:
207  
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:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.3  
Properties