61894-11-9 Usage
General Description
3-(2-Methoxy-phenylcarbamoyl)-bicyclo[2.2.1]hept-5-ene-2-carboxylic acid is a chemical compound with a complex molecular structure. It contains a bicyclic ring system and a carbamate group, as well as a carboxylic acid functional group. The compound is a derivative of bicyclo[2.2.1]heptane and contains a methoxy-phenyl group. This chemical may have potential applications in the field of medicinal chemistry, as its unique structure could make it a valuable starting point for the design of new drugs or pharmaceutical compounds. Further research is needed to explore the potential uses of this compound in various scientific and industrial applications.
Check Digit Verification of cas no
The CAS Registry Mumber 61894-11-9 includes 8 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 5 digits, 6,1,8,9 and 4 respectively; the second part has 2 digits, 1 and 1 respectively.
Calculate Digit Verification of CAS Registry Number 61894-11:
(7*6)+(6*1)+(5*8)+(4*9)+(3*4)+(2*1)+(1*1)=139
139 % 10 = 9
So 61894-11-9 is a valid CAS Registry Number.
InChI:InChI=1/C16H17NO4/c1-21-12-5-3-2-4-11(12)17-15(18)13-9-6-7-10(8-9)14(13)16(19)20/h2-7,9-10,13-14H,8H2,1H3,(H,17,18)(H,19,20)/p-1/t9-,10-,13+,14-/m0/s1
61894-11-9Relevant articles and documents
A molecular balance for measuring aliphatic CH-π interactions
Carroll, William R.,Zhao, Chen,Smith, Mark D.,Pellechia, Perry J.,Shimizu, Ken D.
, p. 4320 - 4323 (2011)
A series of conformationally flexible bicyclic N-arylimides were employed as molecular balances to study the weak aliphatic CH-π interaction between alkyl and arene groups. The formation of intramolecular CH-π interactions in the folded conformers was characterized by X-ray crystallography. The strengths of the interactions were characterized in CDCl3 by the changes in the folded/unfolded ratios, as measured by 1H NMR. The CH-π interaction between a methyl group and an aromatic surface was ～1.0 kcal/mol and was easily disrupted or masked by conformational entropy and repulsive steric interactions.
