Home Carboxys methyl 1-cyanocyclobutanecarboxylate

methyl 1-cyanocyclobutanecarboxylate

CAS No.:
58920-79-9
Catalog Number:
AG00ED6O
Molecular Formula:
C7H9NO2
Molecular Weight:
139.1519
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Product Description
Catalog Number:
AG00ED6O
Chemical Name:
methyl 1-cyanocyclobutanecarboxylate
CAS Number:
58920-79-9
Molecular Formula:
C7H9NO2
Molecular Weight:
139.1519
MDL Number:
MFCD10758063
IUPAC Name:
methyl 1-cyanocyclobutane-1-carboxylate
InChI:
InChI=1S/C7H9NO2/c1-10-6(9)7(5-8)3-2-4-7/h2-4H2,1H3
InChI Key:
WCTZTNWBOZFXTE-UHFFFAOYSA-N
SMILES:
COC(=O)C1(CCC1)C#N
Properties
Complexity:
197  
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:
0
Isotope Atom Count:
0
Molecular Weight:
139.154g/mol
Monoisotopic Mass:
139.063g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
50.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9  
Properties