Home Carboxys Bicyclo[2.2.1]hept-5-ene-2-carboxylic acid, 3-[(3-pyridinylamino)carbonyl]-

Bicyclo[2.2.1]hept-5-ene-2-carboxylic acid, 3-[(3-pyridinylamino)carbonyl]-

CAS No.:
200431-54-5
Catalog Number:
AG002CS0
Molecular Formula:
C14H14N2O3
Molecular Weight:
258.2726
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
95%
In Stock USA
United States
$168
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Product Description
Catalog Number:
AG002CS0
Chemical Name:
Bicyclo[2.2.1]hept-5-ene-2-carboxylic acid, 3-[(3-pyridinylamino)carbonyl]-
CAS Number:
200431-54-5
Molecular Formula:
C14H14N2O3
Molecular Weight:
258.2726
MDL Number:
MFCD00167679
IUPAC Name:
3-(pyridin-3-ylcarbamoyl)bicyclo[2.2.1]hept-5-ene-2-carboxylic acid
InChI:
InChI=1S/C14H14N2O3/c17-13(16-10-2-1-5-15-7-10)11-8-3-4-9(6-8)12(11)14(18)19/h1-5,7-9,11-12H,6H2,(H,16,17)(H,18,19)
InChI Key:
MEGKOTWHALFPHX-UHFFFAOYSA-N
SMILES:
O=C(C1C2C=CC(C1C(=O)O)C2)Nc1cccnc1
Properties
Complexity:
421  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
258.1g/mol
Formal Charge:
0
Heavy Atom Count:
19  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
258.277g/mol
Monoisotopic Mass:
258.1g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
79.3A^2
Undefined Atom Stereocenter Count:
4  
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6  
Properties