Home Carboxys 1-cyanocyclopent-3-ene-1-carboxylic acid

1-cyanocyclopent-3-ene-1-carboxylic acid

CAS No.:
1496263-20-7
Catalog Number:
AG01AEUS
Molecular Formula:
C7H7NO2
Molecular Weight:
137.1360
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Product Description
Catalog Number:
AG01AEUS
Chemical Name:
1-cyanocyclopent-3-ene-1-carboxylic acid
CAS Number:
1496263-20-7
Molecular Formula:
C7H7NO2
Molecular Weight:
137.1360
MDL Number:
MFCD21194143
IUPAC Name:
1-cyanocyclopent-3-ene-1-carboxylic acid
InChI:
InChI=1S/C7H7NO2/c8-5-7(6(9)10)3-1-2-4-7/h1-2H,3-4H2,(H,9,10)
InChI Key:
XPQGBQBKRHDZSM-UHFFFAOYSA-N
SMILES:
N#CC1(CC=CC1)C(=O)O
Properties
Complexity:
225  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
137.048g/mol
Formal Charge:
0
Heavy Atom Count:
10  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
137.138g/mol
Monoisotopic Mass:
137.048g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
61.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7  
Properties