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

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

CAS No.:
2137843-04-8
Catalog Number:
AG01EKLE
Molecular Formula:
C23H22N4O4
Molecular Weight:
418.4452
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
Product Description
Catalog Number:
AG01EKLE
Chemical Name:
1-[(1-{[(9H-fluoren-9-yl)methoxy]carbonyl}pyrrolidin-2-yl)methyl]-1H-1,2,3-triazole-4-carboxylic acid
CAS Number:
2137843-04-8
Molecular Formula:
C23H22N4O4
Molecular Weight:
418.4452
MDL Number:
MFCD31558852
IUPAC Name:
1-[[1-(9H-fluoren-9-ylmethoxycarbonyl)pyrrolidin-2-yl]methyl]triazole-4-carboxylic acid
InChI:
InChI=1S/C23H22N4O4/c28-22(29)21-13-26(25-24-21)12-15-6-5-11-27(15)23(30)31-14-20-18-9-3-1-7-16(18)17-8-2-4-10-19(17)20/h1-4,7-10,13,15,20H,5-6,11-12,14H2,(H,28,29)
InChI Key:
OKVKXOOQPBVJCA-UHFFFAOYSA-N
SMILES:
O=C(N1CCCC1Cn1nnc(c1)C(=O)O)OCC1c2ccccc2c2c1cccc2
Properties
Complexity:
654  
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:
6  
Topological Polar Surface Area:
97.6A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1  
Properties