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444987-42-2 | 1H,3H,6H-Benz[2,3]azirino[1,2-c]oxazole(9CI)
CAS No: 444987-42-2 Catalog No: AG00DX32 MDL No:
Product Description
Catalog Number:
AG00DX32
Chemical Name:
1H,3H,6H-Benz[2,3]azirino[1,2-c]oxazole(9CI)
CAS Number:
444987-42-2
IUPAC Name:
3-oxa-5-azatricyclo[4.4.0.01,5]deca-6,9-diene
InChI:
InChI=1S/C8H9NO/c1-2-4-8-5-10-6-9(8)7(8)3-1/h2-4H,1,5-6H2
InChI Key:
VHGRQOLYXRNPAH-UHFFFAOYSA-N
Properties
Complexity:
244
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
135.068g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
135.166g/mol
Monoisotopic Mass:
135.068g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
12.2A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
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