Home Carboxys 2-{[(9H-fluoren-9-yl)methoxy]carbonyl}-1,2,3,4-tetrahydroisoquinoline-6-carboxylic acid

2-{[(9H-fluoren-9-yl)methoxy]carbonyl}-1,2,3,4-tetrahydroisoquinoline-6-carboxylic acid

CAS No.:
2138226-21-6
Catalog Number:
AG01EKTC
Molecular Formula:
C25H21NO4
Molecular Weight:
399.4385
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Product Description
Catalog Number:
AG01EKTC
Chemical Name:
2-{[(9H-fluoren-9-yl)methoxy]carbonyl}-1,2,3,4-tetrahydroisoquinoline-6-carboxylic acid
CAS Number:
2138226-21-6
Molecular Formula:
C25H21NO4
Molecular Weight:
399.4385
MDL Number:
MFCD31421834
IUPAC Name:
2-(9H-fluoren-9-ylmethoxycarbonyl)-3,4-dihydro-1H-isoquinoline-6-carboxylic acid
InChI:
InChI=1S/C25H21NO4/c27-24(28)17-9-10-18-14-26(12-11-16(18)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:
MSBOCURKBAZTRR-UHFFFAOYSA-N
SMILES:
O=C(N1CCc2c(C1)ccc(c2)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