Home Carboxys 1-(Benzyloxycarbonyl)hexahydropyridazine-3-carboxylic acid

1-(Benzyloxycarbonyl)hexahydropyridazine-3-carboxylic acid

CAS No.:
72120-54-8
Catalog Number:
AG006A80
Molecular Formula:
C13H16N2O4
Molecular Weight:
264.2771
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
95%
In Stock USA
United States
$493
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Product Description
Catalog Number:
AG006A80
Chemical Name:
1-(Benzyloxycarbonyl)hexahydropyridazine-3-carboxylic acid
CAS Number:
72120-54-8
Molecular Formula:
C13H16N2O4
Molecular Weight:
264.2771
MDL Number:
MFCD16619198
IUPAC Name:
1-phenylmethoxycarbonyldiazinane-3-carboxylic acid
InChI:
InChI=1S/C13H16N2O4/c16-12(17)11-7-4-8-15(14-11)13(18)19-9-10-5-2-1-3-6-10/h1-3,5-6,11,14H,4,7-9H2,(H,16,17)
InChI Key:
ZYBMAAOZXXKYTG-UHFFFAOYSA-N
SMILES:
O=C(N1CCCC(N1)C(=O)O)OCc1ccccc1
Properties
Complexity:
329  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
264.111g/mol
Formal Charge:
0
Heavy Atom Count:
19  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
264.281g/mol
Monoisotopic Mass:
264.111g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
78.9A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.8  
Properties