Home Other Building Blocks methyl 3-(1-cyanocyclobutyl)butanoate

methyl 3-(1-cyanocyclobutyl)butanoate

CAS No.:
1461713-32-5
Catalog Number:
AG01A40X
Molecular Formula:
C10H15NO2
Molecular Weight:
181.2316
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Product Description
Catalog Number:
AG01A40X
Chemical Name:
methyl 3-(1-cyanocyclobutyl)butanoate
CAS Number:
1461713-32-5
Molecular Formula:
C10H15NO2
Molecular Weight:
181.2316
MDL Number:
MFCD25970259
IUPAC Name:
methyl 3-(1-cyanocyclobutyl)butanoate
InChI:
InChI=1S/C10H15NO2/c1-8(6-9(12)13-2)10(7-11)4-3-5-10/h8H,3-6H2,1-2H3
InChI Key:
GNKVAGPCJMNMKG-UHFFFAOYSA-N
SMILES:
COC(=O)CC(C1(CCC1)C#N)C
Properties
Complexity:
247  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
181.11g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
181.235g/mol
Monoisotopic Mass:
181.11g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
50.1A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4  
Properties