Home Carboxys Methyl 1-cyanocyclopropanecarboxylate

Methyl 1-cyanocyclopropanecarboxylate

CAS No.:
6914-73-4
Catalog Number:
AG00FBHN
Molecular Formula:
C6H7NO2
Molecular Weight:
125.1253
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Product Description
Catalog Number:
AG00FBHN
Chemical Name:
Methyl 1-cyanocyclopropanecarboxylate
CAS Number:
6914-73-4
Molecular Formula:
C6H7NO2
Molecular Weight:
125.1253
MDL Number:
MFCD09033250
IUPAC Name:
methyl 1-cyanocyclopropane-1-carboxylate
InChI:
InChI=1S/C6H7NO2/c1-9-5(8)6(4-7)2-3-6/h2-3H2,1H3
InChI Key:
QNQYMXXUAFDGIQ-UHFFFAOYSA-N
SMILES:
COC(=O)C1(CC1)C#N
NSC Number:
600026
Properties
Complexity:
185  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
125.048g/mol
Formal Charge:
0
Heavy Atom Count:
9  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
125.127g/mol
Monoisotopic Mass:
125.048g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
50.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.3  
Properties