Home Carboxys 1-(1-{[(9H-fluoren-9-yl)methoxy]carbonyl}piperidin-4-yl)-1H-1,2,3-triazole-5-carboxylic acid

1-(1-{[(9H-fluoren-9-yl)methoxy]carbonyl}piperidin-4-yl)-1H-1,2,3-triazole-5-carboxylic acid

CAS No.:
2137634-01-4
Catalog Number:
AG01EKOH
Molecular Formula:
C23H22N4O4
Molecular Weight:
418.4452
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Product Description
Catalog Number:
AG01EKOH
Chemical Name:
1-(1-{[(9H-fluoren-9-yl)methoxy]carbonyl}piperidin-4-yl)-1H-1,2,3-triazole-5-carboxylic acid
CAS Number:
2137634-01-4
Molecular Formula:
C23H22N4O4
Molecular Weight:
418.4452
MDL Number:
MFCD31558847
IUPAC Name:
3-[1-(9H-fluoren-9-ylmethoxycarbonyl)piperidin-4-yl]triazole-4-carboxylic acid
InChI:
InChI=1S/C23H22N4O4/c28-22(29)21-13-24-25-27(21)15-9-11-26(12-10-15)23(30)31-14-20-18-7-3-1-5-16(18)17-6-2-4-8-19(17)20/h1-8,13,15,20H,9-12,14H2,(H,28,29)
InChI Key:
XPRZGIMJFPLIQM-UHFFFAOYSA-N
SMILES:
O=C(N1CCC(CC1)n1nncc1C(=O)O)OCC1c2ccccc2c2c1cccc2
Properties
Complexity:
646  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
418.164g/mol
Formal Charge:
0
Heavy Atom Count:
31  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
418.453g/mol
Monoisotopic Mass:
418.164g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
97.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3  
Properties