Home Other Building Blocks 6-(3-oxo-1,4-diazepan-1-yl)picolinic acid

6-(3-oxo-1,4-diazepan-1-yl)picolinic acid

CAS No.:
1472731-34-2
Catalog Number:
AG01E65B
Molecular Formula:
C11H13N3O3
Molecular Weight:
235.2392
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
100mg
95%
In Stock USA
United States
$273
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Product Description
Catalog Number:
AG01E65B
Chemical Name:
6-(3-oxo-1,4-diazepan-1-yl)picolinic acid
CAS Number:
1472731-34-2
Molecular Formula:
C11H13N3O3
Molecular Weight:
235.2392
MDL Number:
MFCD20797648
IUPAC Name:
6-(3-oxo-1,4-diazepan-1-yl)pyridine-2-carboxylic acid
InChI:
InChI=1S/C11H13N3O3/c15-10-7-14(6-2-5-12-10)9-4-1-3-8(13-9)11(16)17/h1,3-4H,2,5-7H2,(H,12,15)(H,16,17)
InChI Key:
ZYLSVQMZIDYKNF-UHFFFAOYSA-N
SMILES:
O=C1NCCCN(C1)c1cccc(n1)C(=O)O
Properties
Complexity:
308  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
235.096g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
235.243g/mol
Monoisotopic Mass:
235.096g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
82.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6  
Properties