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

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

CAS No.:
2138267-67-9
Catalog Number:
AG01EKUJ
Molecular Formula:
C23H22N4O4
Molecular Weight:
418.4452
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Product Description
Catalog Number:
AG01EKUJ
Chemical Name:
1-(1-{[(9H-fluoren-9-yl)methoxy]carbonyl}pyrrolidin-3-yl)-5-methyl-1H-1,2,3-triazole-4-carboxylic acid
CAS Number:
2138267-67-9
Molecular Formula:
C23H22N4O4
Molecular Weight:
418.4452
MDL Number:
MFCD31558850
IUPAC Name:
1-[1-(9H-fluoren-9-ylmethoxycarbonyl)pyrrolidin-3-yl]-5-methyltriazole-4-carboxylic acid
InChI:
InChI=1S/C23H22N4O4/c1-14-21(22(28)29)24-25-27(14)15-10-11-26(12-15)23(30)31-13-20-18-8-4-2-6-16(18)17-7-3-5-9-19(17)20/h2-9,15,20H,10-13H2,1H3,(H,28,29)
InChI Key:
ONAIAKFSKWOVKV-UHFFFAOYSA-N
SMILES:
O=C(N1CCC(C1)n1nnc(c1C)C(=O)O)OCC1c2ccccc2c2c1cccc2
Properties
Complexity:
669  
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:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1  
Properties