Home Carboxys 1-quinolin-6-ylcyclopropane-1-carboxylic acid

1-quinolin-6-ylcyclopropane-1-carboxylic acid

CAS No.:
936728-00-6
Catalog Number:
AG00IHQE
Molecular Formula:
C13H11NO2
Molecular Weight:
213.2319
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Product Description
Catalog Number:
AG00IHQE
Chemical Name:
1-quinolin-6-ylcyclopropane-1-carboxylic acid
CAS Number:
936728-00-6
Molecular Formula:
C13H11NO2
Molecular Weight:
213.2319
MDL Number:
MFCD18072665
IUPAC Name:
1-quinolin-6-ylcyclopropane-1-carboxylic acid
InChI:
InChI=1S/C13H11NO2/c15-12(16)13(5-6-13)10-3-4-11-9(8-10)2-1-7-14-11/h1-4,7-8H,5-6H2,(H,15,16)
InChI Key:
WGIHHDCKQNSCIX-UHFFFAOYSA-N
SMILES:
OC(=O)C1(CC1)c1ccc2c(c1)cccn2
Properties
Complexity:
298  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
213.079g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
213.236g/mol
Monoisotopic Mass:
213.079g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
50.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2  
Properties