Home Carboxys 2-[(9H-fluoren-9-ylmethoxy)carbonyl]-1,2,3,4-tetrahydroisoquinoline-7-carboxylic acid

2-[(9H-fluoren-9-ylmethoxy)carbonyl]-1,2,3,4-tetrahydroisoquinoline-7-carboxylic acid

CAS No.:
1556628-22-8
Catalog Number:
AG01BHF4
Molecular Formula:
C25H21NO4
Molecular Weight:
399.4385
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Product Description
Catalog Number:
AG01BHF4
Chemical Name:
2-[(9H-fluoren-9-ylmethoxy)carbonyl]-1,2,3,4-tetrahydroisoquinoline-7-carboxylic acid
CAS Number:
1556628-22-8
Molecular Formula:
C25H21NO4
Molecular Weight:
399.4385
MDL Number:
MFCD00671405
IUPAC Name:
2-(9H-fluoren-9-ylmethoxycarbonyl)-3,4-dihydro-1H-isoquinoline-7-carboxylic acid
InChI:
InChI=1S/C25H21NO4/c27-24(28)17-10-9-16-11-12-26(14-18(16)13-17)25(29)30-15-23-21-7-3-1-5-19(21)20-6-2-4-8-22(20)23/h1-10,13,23H,11-12,14-15H2,(H,27,28)
InChI Key:
OBILUORTFSHEOX-UHFFFAOYSA-N
SMILES:
O=C(N1CCc2c(C1)cc(cc2)C(=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:
399.147g/mol
Formal Charge:
0
Heavy Atom Count:
30  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
399.446g/mol
Monoisotopic Mass:
399.147g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
66.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.3  
Properties