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Nicotinic anhydride

CAS No.:
16837-38-0
Catalog Number:
AG0035E1
Molecular Formula:
C12H8N2O3
Molecular Weight:
228.2035
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
98%
1 week
United States
$181
- +
5g
>97.0%(GC)(T)
1 week
United States
$378
- +
Product Description
Catalog Number:
AG0035E1
Chemical Name:
Nicotinic anhydride
CAS Number:
16837-38-0
Molecular Formula:
C12H8N2O3
Molecular Weight:
228.2035
MDL Number:
MFCD00055400
IUPAC Name:
pyridine-3-carbonyl pyridine-3-carboxylate
InChI:
InChI=1S/C12H8N2O3/c15-11(9-3-1-5-13-7-9)17-12(16)10-4-2-6-14-8-10/h1-8H
InChI Key:
VPODXHOUBDCEHN-UHFFFAOYSA-N
SMILES:
O=C(c1cccnc1)OC(=O)c1cccnc1
EC Number:
240-860-6
NSC Number:
72756
Properties
Complexity:
266  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
228.053g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
228.207g/mol
Monoisotopic Mass:
228.053g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
69.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1  
Properties