Home Carboxys 2-cyanobicyclo[2.2.1]heptane-2-carboxylic acid

2-cyanobicyclo[2.2.1]heptane-2-carboxylic acid

CAS No.:
1564780-99-9
Catalog Number:
AG01BIF4
Molecular Formula:
C9H11NO2
Molecular Weight:
165.1891
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Product Description
Catalog Number:
AG01BIF4
Chemical Name:
2-cyanobicyclo[2.2.1]heptane-2-carboxylic acid
CAS Number:
1564780-99-9
Molecular Formula:
C9H11NO2
Molecular Weight:
165.1891
MDL Number:
MFCD26838153
IUPAC Name:
2-cyanobicyclo[2.2.1]heptane-2-carboxylic acid
InChI:
InChI=1S/C9H11NO2/c10-5-9(8(11)12)4-6-1-2-7(9)3-6/h6-7H,1-4H2,(H,11,12)
InChI Key:
YIRDUCFXOPSMIV-UHFFFAOYSA-N
SMILES:
N#CC1(CC2CC1CC2)C(=O)O
Properties
Complexity:
278  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
165.079g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
165.192g/mol
Monoisotopic Mass:
165.079g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
61.1A^2
Undefined Atom Stereocenter Count:
3  
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6  
Properties