Home Carboxys (3Ar,4s,9bs)-8-nitro-3a,4,5,9b-tetrahydro-3h-cyclopenta[c]quinoline-4-carboxylic acid

(3Ar,4s,9bs)-8-nitro-3a,4,5,9b-tetrahydro-3h-cyclopenta[c]quinoline-4-carboxylic acid

CAS No.:
1415811-49-2
Catalog Number:
AG00HW37
Molecular Formula:
C13H12N2O4
Molecular Weight:
260.2454
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
100mg
95%
In Stock USA
United States
$100
- +
250mg
95%
In Stock USA
United States
$200
- +
1g
95%
In Stock USA
United States
$475
- +
Product Description
Catalog Number:
AG00HW37
Chemical Name:
(3Ar,4s,9bs)-8-nitro-3a,4,5,9b-tetrahydro-3h-cyclopenta[c]quinoline-4-carboxylic acid
CAS Number:
1415811-49-2
Molecular Formula:
C13H12N2O4
Molecular Weight:
260.2454
MDL Number:
MFCD07363471
IUPAC Name:
(3aR,4S,9bS)-8-nitro-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-4-carboxylic acid
InChI:
InChI=1S/C13H12N2O4/c16-13(17)12-9-3-1-2-8(9)10-6-7(15(18)19)4-5-11(10)14-12/h1-2,4-6,8-9,12,14H,3H2,(H,16,17)/t8-,9+,12-/m0/s1
InChI Key:
FVGRNYLHBYNHAI-SBMIAAHKSA-N
SMILES:
OC(=O)[C@H]1Nc2ccc(cc2[C@@H]2[C@H]1CC=C2)[N+](=O)[O-]
Properties
Complexity:
431  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
3  
Defined Bond Stereocenter Count:
0
Exact Mass:
260.08g/mol
Formal Charge:
0
Heavy Atom Count:
19  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
260.249g/mol
Monoisotopic Mass:
260.08g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
95.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3  
Properties