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

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

CAS No.:
2138390-29-9
Catalog Number:
AG01EL2F
Molecular Formula:
C21H18N4O4
Molecular Weight:
390.3920
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Product Description
Catalog Number:
AG01EL2F
Chemical Name:
1-(1-{[(9H-fluoren-9-yl)methoxy]carbonyl}azetidin-3-yl)-1H-1,2,3-triazole-5-carboxylic acid
CAS Number:
2138390-29-9
Molecular Formula:
C21H18N4O4
Molecular Weight:
390.3920
MDL Number:
MFCD31559161
IUPAC Name:
3-[1-(9H-fluoren-9-ylmethoxycarbonyl)azetidin-3-yl]triazole-4-carboxylic acid
InChI:
InChI=1S/C21H18N4O4/c26-20(27)19-9-22-23-25(19)13-10-24(11-13)21(28)29-12-18-16-7-3-1-5-14(16)15-6-2-4-8-17(15)18/h1-9,13,18H,10-12H2,(H,26,27)
InChI Key:
WHWADGLHQHDQCW-UHFFFAOYSA-N
SMILES:
O=C(N1CC(C1)n1nncc1C(=O)O)OCC1c2ccccc2c2c1cccc2
Properties
Complexity:
618  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
390.133g/mol
Formal Charge:
0
Heavy Atom Count:
29  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
390.399g/mol
Monoisotopic Mass:
390.133g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
97.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3  
Properties