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210302-59-3 | 2H-1,3,5-Oxadiazino[3,2-a][1,3]diazepine (9CI)
CAS No: 210302-59-3 Catalog No: AG002KP5 MDL No:
Product Description
Catalog Number:
AG002KP5
Chemical Name:
2H-1,3,5-Oxadiazino[3,2-a][1,3]diazepine (9CI)
CAS Number:
210302-59-3
Molecular Formula:
C7H7N3O
Molecular Weight:
149.1500
IUPAC Name:
2H-[1,3,5]oxadiazino[3,2-a][1,3]diazepine
InChI:
InChI=1S/C7H7N3O/c1-2-4-10-5-8-6-11-7(10)9-3-1/h1-5H,6H2
InChI Key:
XAUAMBIBZZGIDP-UHFFFAOYSA-N
SMILES:
C1=CN=C2N(C=C1)C=NCO2
Properties
Complexity:
265
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
149.059g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
149.153g/mol
Monoisotopic Mass:
149.059g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
37.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.3
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