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Home Carboxys 3a,4,5,9b-Tetrahydro-3H-cyclopenta[c]quinoline-4-carboxylic acid

3a,4,5,9b-Tetrahydro-3H-cyclopenta[c]quinoline-4-carboxylic acid

CAS No.:
354815-90-0
Catalog Number:
AG00BZYN
Molecular Formula:
C13H13NO2
Molecular Weight:
215.2478
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
95%
In Stock USA
United States
$96
- +
5g
95%
In Stock USA
United States
$216
- +
10g
95%
In Stock USA
United States
$343
- +
Product Description
Catalog Number:
AG00BZYN
Chemical Name:
3a,4,5,9b-Tetrahydro-3H-cyclopenta[c]quinoline-4-carboxylic acid
CAS Number:
354815-90-0
Molecular Formula:
C13H13NO2
Molecular Weight:
215.2478
MDL Number:
MFCD01593500
IUPAC Name:
3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-4-carboxylic acid
InChI:
InChI=1S/C13H13NO2/c15-13(16)12-10-6-3-5-8(10)9-4-1-2-7-11(9)14-12/h1-5,7-8,10,12,14H,6H2,(H,15,16)
InChI Key:
WRJCENKZISEXPF-UHFFFAOYSA-N
SMILES:
OC(=O)C1Nc2ccccc2C2C1CC=C2
Properties
Complexity:
326  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
215.095g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
215.252g/mol
Monoisotopic Mass:
215.095g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
49.3A^2
Undefined Atom Stereocenter Count:
3  
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5  
Literature
Title Journal
Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. Bioorganic & medicinal chemistry letters 20101101
Identification of non-nucleoside DNA synthesis inhibitors of vaccinia virus by high-throughput screening. Journal of medicinal chemistry 20081023
Properties