Home Carboxys 1-[(9H-fluoren-9-ylmethoxy)carbonyl]-decahydroquinoline-2-carboxylic acid, Mixture of diastereomers

1-[(9H-fluoren-9-ylmethoxy)carbonyl]-decahydroquinoline-2-carboxylic acid, Mixture of diastereomers

CAS No.:
1561709-86-1
Catalog Number:
AG01EKF4
Molecular Formula:
C25H27NO4
Molecular Weight:
405.4862
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Product Description
Catalog Number:
AG01EKF4
Chemical Name:
1-[(9H-fluoren-9-ylmethoxy)carbonyl]-decahydroquinoline-2-carboxylic acid, Mixture of diastereomers
CAS Number:
1561709-86-1
Molecular Formula:
C25H27NO4
Molecular Weight:
405.4862
MDL Number:
MFCD21647513
IUPAC Name:
1-(9H-fluoren-9-ylmethoxycarbonyl)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-2-carboxylic acid
InChI:
InChI=1S/C25H27NO4/c27-24(28)23-14-13-16-7-1-6-12-22(16)26(23)25(29)30-15-21-19-10-4-2-8-17(19)18-9-3-5-11-20(18)21/h2-5,8-11,16,21-23H,1,6-7,12-15H2,(H,27,28)
InChI Key:
GRMBEHUFNDWEDS-UHFFFAOYSA-N
SMILES:
O=C(N1C2CCCCC2CCC1C(=O)O)OCC1c2ccccc2c2c1cccc2
Properties
Complexity:
629  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
405.194g/mol
Formal Charge:
0
Heavy Atom Count:
30  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
405.494g/mol
Monoisotopic Mass:
405.194g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
66.8A^2
Undefined Atom Stereocenter Count:
3  
Undefined Bond Stereocenter Count:
0
XLogP3:
5.1  
Properties