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291-00-9

291-00-9 | 4H-1,3,5-Dioxazine

CAS No: 291-00-9 Catalog No: AG002XBJ MDL No:

Product Description

Catalog Number:
AG002XBJ
Chemical Name:
4H-1,3,5-Dioxazine
CAS Number:
291-00-9
Molecular Formula:
C3H5NO2
Molecular Weight:
87.0773
IUPAC Name:
4H-1,3,5-dioxazine
InChI:
InChI=1S/C3H5NO2/c1-4-2-6-3-5-1/h1H,2-3H2
InChI Key:
BKBKTDKXZVCKEG-UHFFFAOYSA-N
SMILES:
C1OCN=CO1

Properties

Complexity:
61.8  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
87.032g/mol
Formal Charge:
0
Heavy Atom Count:
6  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
87.078g/mol
Monoisotopic Mass:
87.032g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
30.8A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.1  

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