Home Carboxys methyl 1-cyanospiro[2.4]heptane-1-carboxylate

methyl 1-cyanospiro[2.4]heptane-1-carboxylate

CAS No.:
724773-41-5
Catalog Number:
AG01BCWF
Molecular Formula:
C10H13NO2
Molecular Weight:
179.2157
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
Product Description
Catalog Number:
AG01BCWF
Chemical Name:
methyl 1-cyanospiro[2.4]heptane-1-carboxylate
CAS Number:
724773-41-5
Molecular Formula:
C10H13NO2
Molecular Weight:
179.2157
MDL Number:
MFCD09031142
IUPAC Name:
methyl 2-cyanospiro[2.4]heptane-2-carboxylate
InChI:
InChI=1S/C10H13NO2/c1-13-8(12)10(7-11)6-9(10)4-2-3-5-9/h2-6H2,1H3
InChI Key:
LFMQGUQBDIIIAD-UHFFFAOYSA-N
SMILES:
COC(=O)C1(C#N)CC21CCCC2
Properties
Complexity:
295  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
179.095g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
179.219g/mol
Monoisotopic Mass:
179.095g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
50.1A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
2  
Properties